Tetraxetan

Tetraxetan

SCHEMBL14977227

Cl.O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Tetraxetan. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 known ✓ P21453 1/20 0.40
GLA known ✓ P06280 1/20 0.39
GAA known ✓ P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.61
SLC6A9 P48067 1/20 0.46
ALDH1A1 P00352 7/20 0.39
STAT6 P42226 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL31540736 1.00 HSD17B10 (0.61) HSD17B10SLC6A9S1PR1GLAALDH1A1
Hydrochloric Acid SCHEMBL18110099 1.00 HSD17B10 (0.61) HSD17B10SLC6A9S1PR1GLAALDH1A1
Tetraxetan SCHEMBL2017956 0.97 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1ALDH1A1STAT6
SCHEMBL6848102 0.97 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1ALDH1A1STAT6
SCHEMBL3503521 0.97 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1ALDH1A1STAT6
Tetraxetan SCHEMBL18018 0.97 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1ALDH1A1STAT6
SCHEMBL173508 0.97 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1ALDH1A1STAT6
Tetraxetan SCHEMBL2635294 0.97 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1ALDH1A1STAT6
SCHEMBL321989 0.97 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1ALDH1A1STAT6
SCHEMBL6744121 0.97 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1ALDH1A1STAT6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108264491-B Preparation method of 1,4,7, 10-tetraazacyclododecane-1, 4,7,10-tetraacetic acid 威智医药有限公司 2022-09-16 CN disclosed
CN-110198931-B Preparation method of 1,4,7, 10-tetraazacyclododecane-1, 4,7, 10-tetraacetic acid 威智医药有限公司 2022-08-02 CN disclosed
US-11214553-B2 Method for preparing 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid VIWIT PHARMACEUTICAL CO., LTD. (CN) 2022-01-04 US disclosed
EP-3564218-B1 METHOD FOR PREPARING 1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAACETIC ACID VIWIT PHARMACEUTICAL CO LTD (CN) 2021-02-24 EP disclosed
US-20200347023-A1 METHOD FOR PREPARING 1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAACETIC ACID VIWIT PHARMACEU (CN) 2020-11-05 US disclosed
EP-3564218-A1 METHOD FOR PREPARING 1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAACETIC ACID Viwit Pharmaceutical Co., Ltd. (CN) 2019-11-06 EP disclosed
CN-110198931-A The preparation method of Cyclen -1,4,7,10- tetraacethyl 山东威智医药工业有限公司 2019-09-03 CN disclosed
US-10195295-B2 Process for purifying 1,4,7,10-tetra-azacyclododecane-1,4,7,10-tetraacetic acid T2PHARMA GMBH (DE) 2019-02-05 US disclosed
US-10106489-B2 Process for the purification of polyaminocarboxylates BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2018-10-23 US disclosed
EP-3102566-B1 PROCESS FOR PURIFYING 1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAACETIC ACID T2PHARMA GMBH (DE) 2018-09-12 EP disclosed
EP-2948449-B1 PROCESS FOR PRODUCING 1, 4, 7, 10-TETRAAZACYCLODODECANE-1, 4, 7, 10-TETRAACETIC ACID AND COMPLEXES THEREOF AGFA HEALTHCARE (BE) 2016-12-21 EP disclosed
EP-3102566-A1 PROCESS FOR PURIFYING 1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAACETIC ACID AGFA Healthcare (BE) 2016-12-14 EP disclosed
US-9458117-B2 Process for producing 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid and complexes thereof AGFA HEALTHCARE NV (BE) 2016-10-04 US disclosed
US-20160024030-A1 PROCESS FOR PRODUCING 1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAACETIC ACID AND COMPLEXES THEREOF AGFA HEALTHCARE (BE) 2016-01-28 US disclosed
EP-2948449-A1 PROCESS FOR PRODUCING 1, 4, 7, 10-TETRAAZACYCLODODECANE-1, 4, 7, 10-TETRAACETIC ACID AND COMPLEXES THEREOF AGFA Healthcare (BE) 2015-12-02 EP disclosed
WO-2015117911-A1 PROCESS FOR PURIFYING 1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAACETIC ACID AGFA HEALTHCARE (BE) 2015-08-13 WO disclosed
US-20140323719-A1 PROCESS FOR THE PURIFICATION OF POLYAMINOCARBOXYLATES BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2014-10-30 US disclosed
EP-2782900-A2 PROCESS FOR THE PURIFICATION OF POLYAMINOCARBOXYLATES Biophore India Pharmaceuticals Pvt. Ltd. (IN) 2014-10-01 EP disclosed
WO-2014114664-A1 PROCESS FOR PRODUCING 1, 4, 7, 10-TETRAAZACYCLODODECANE-1, 4, 7, 10-TETRAACETIC ACID AND COMPLEXES THEREOF AGFA HEALTHCARE (BE) 2014-07-31 WO disclosed
WO-2013076743-A2 PROCESS FOR THE PURIFICATION OF POLYAMINOCARBOXYLATES BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2013-05-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10106489-B2 Process for the purification of polyaminocarboxylates SSTR3, TAC3, PDE3A S1PR1 1977/4885GLA 2613/4885GAA 333/4885
US-11214553-B2 Method for preparing 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid SLC7A1, RCC2, RCC1 S1PR1 2375/4885GLA 3921/4885GAA 488/4885
US-20200347023-A1 METHOD FOR PREPARING 1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAACETIC ACID SLC7A1, RCC2, RCC1 S1PR1 2375/4885GLA 3921/4885GAA 488/4885
US-20140323719-A1 PROCESS FOR THE PURIFICATION OF POLYAMINOCARBOXYLATES SSTR3, TAC3, PDE3A S1PR1 1977/4885GLA 2613/4885GAA 333/4885
US-10195295-B2 Process for purifying 1,4,7,10-tetra-azacyclododecane-1,4,7,10-tetraacetic acid CA7, CA1, ANO1 S1PR1 1043/4885GLA 550/4885GAA 1097/4885
US-20160024030-A1 PROCESS FOR PRODUCING 1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAACETIC ACID AND COMPLEXES THEREOF TCP1, RCC1, CA7 S1PR1 1342/4885GLA 1456/4885GAA 455/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.