Cetraxate

Cetraxate

SCHEMBL144286

Cl.NCC1CCC(C(=O)Oc2ccc(CCC(=O)O)cc2)CC1

nearest known ligand 0.97

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 Cetraxate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 known ✓ P05106 1/20 0.44
ITGA2B known ✓ P08514 1/20 0.44
F2 P00734 1/20 0.97
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ELANE P08246 2/20 0.45
FFAR1 O14842 11/20 0.44
LMNA P02545 2/20 0.42
FFAR4 Q5NUL3 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
SRD5A2 P31213 1/20 0.40
POLB P06746 1/20 0.39

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
Cetraxate SCHEMBL144285 1.00 F2 (0.97) F2HTTKMT2ASMN1; SMN2TDP1
Cetraxate SCHEMBL7616457 0.99 F2 (1.00) F2HTTKMT2ASMN1; SMN2TDP1
Cetraxate SCHEMBL20774010 0.99 F2 (1.00) F2HTTKMT2ASMN1; SMN2TDP1
Cetraxate SCHEMBL19437 0.99 F2 (1.00) F2HTTKMT2ASMN1; SMN2TDP1
Cetraxate SCHEMBL476429 0.99 F2 (1.00) F2HTTKMT2ASMN1; SMN2TDP1
Cetraxate SCHEMBL4639111 0.97 F2 (0.97) F2HTTKMT2ASMN1; SMN2TDP1
Cetraxate SCHEMBL11215310 0.97 F2 (0.97) F2HTTKMT2ASMN1; SMN2TDP1
Cetraxate SCHEMBL10789557 0.97 F2 (0.97) F2HTTKMT2ASMN1; SMN2TDP1
Cetraxate SCHEMBL11215307 0.97 F2 (0.97) F2HTTKMT2ASMN1; SMN2TDP1
Cetraxate SCHEMBL1649792 0.96 F2 (0.95) F2HTTKMT2ASMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268352-B2 Modified release composition for highly soluble drugs TORRENT PHARMACEUTICALS LIMITED (IN) 2012-09-18 US claimed
US-8263125-B2 Dosage form for high dose-high solubility active ingredients that provides for immediate release and modified release of the active ingredients TORRENT PHARMACEUTICALS LIMITED (IN) 2012-09-11 US claimed
US-20110159049-A1 PHARMACEUTICAL COMPOSITION DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-06-30 US claimed
CN-1343128-B Medicinal compositions DAICHI PHARMACEUTICAL CO LTD 2010-04-21 CN claimed
CN-101234200-A Composition for improving and treating human body digestive system a plurality of malaise symptoms BINGHUA GUO (CN) 2008-08-06 CN claimed
US-20070196504-A1 PHARMACEUTICAL COMPOSITION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US claimed
US-20070148235-A1 PHARMACEUTICAL COMPOSITION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US claimed
CN-1247188-C Pharmaceutical composition DAIICHI SEIYAKU CO (JP) 2006-03-29 CN claimed
US-20060024365-A1 Novel dosage form VAYA NAVIN 2006-02-02 US claimed
US-20060018934-A1 Novel drug delivery system TORRENT PHARMACEUTICALS LIMITED (IN) 2006-01-26 US claimed
US-6287596-B1 DRUG DELIVERY DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-09-11 US claimed
CN-1280506-A Oral Preparation DAIICHI SEIYAKU CO (JP) 2001-01-17 CN claimed
EP-1020193-A1 ORAL PREPARATION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP claimed
CN-1225017-A Quickly disintegrable compression-molded materials and process for producing the same DAIICHI SEIYAKU CO (JP) 1999-08-04 CN claimed
EP-0922464-A1 QUICKLY DISINTEGRABLE COMPRESSION-MOLDED MATERIALS AND PROCESS FOR PRODUCING THE SAME DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-06-16 EP claimed
US-5811547-A Method for inducing crystalline state transition in medicinal substance NIPPON SHINYAJU CO., LTD. (JP) 1998-09-22 US claimed
US-5700410-A Method of manufacturing wax matrices NIPPON SHINYAKU CO., LTD. (JP) 1997-12-23 US claimed
EP-0580860-B1 METHOD OF MANUFACTURING SOLID DISPERSION NIPPON SHINYAKU CO LTD (JP) 1997-10-22 EP claimed
US-5288503-A WATER-PERMEABLE DIFFUSION BARRIER OF POLYVINYL ALCOHOL SRCHEM INCORPORATED (US) 1994-02-22 US claimed
US-5260066-A Cryogel bandage containing therapeutic agent SRCHEM INCORPORATED (US) 1993-11-09 US claimed

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

For each of this compound's patents that has machine-readable text (3 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-20070148235-A1 PHARMACEUTICAL COMPOSITION TAS2R5, TAS2R60, TAS2R16 ITGB3 2343/4885ITGA2B 2401/4885F2 2243/4885
US-20110159049-A1 PHARMACEUTICAL COMPOSITION TAS2R5, TAS2R60, TAS2R16 ITGB3 2343/4885ITGA2B 2401/4885F2 2243/4885
US-20070196504-A1 PHARMACEUTICAL COMPOSITION CMA1, HRH2, ACLY ITGB3 487/4885ITGA2B 407/4885F2 1196/4885

“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.