Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16987449

Cl.NC(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.59

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.47
SLC6A3 known ✓ Q01959 1/20 0.47
PTGS1 known ✓ P23219 1/20 0.44
SLC15A1 P46059 2/20 0.59
ALDH1A1 P00352 4/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
IDO1 P14902 1/20 0.48
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CDC25B P30305 1/20 0.47
LTA4H P09960 1/20 0.46
LAP3 P28838 1/20 0.46
SLC1A1 P43005 4/20 0.45
SLC1A3 P43003 3/20 0.45
SLC1A2 P43004 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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 SCHEMBL29401429 1.00 SLC15A1 (0.59) SLC15A1ALDH1A1MAPK1L3MBTL1IDO1
Hydrochloric Acid SCHEMBL14762001 1.00 SLC15A1 (0.59) SLC15A1ALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL589203 0.98 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL32681189 0.98 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL1264374 0.98 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL589202 0.98 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL28820464 0.90 SLC15A1 (0.52) SLC15A1ALDH1A1MAPK1L3MBTL1IDO1
Hydrochloric Acid SCHEMBL14482674 0.90 SLC15A1 (0.63) SLC15A1ALDH1A1MAPK1L3MBTL1IDO1
Hydrochloric Acid SCHEMBL14482670 0.90 SLC15A1 (0.63) SLC15A1ALDH1A1MAPK1L3MBTL1IDO1
Aspartic Acid SCHEMBL28852564 0.90 SLC15A1 (0.56) SLC15A1ALDH1A1MAPK1L3MBTL1IDO1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11465965-B2 Double-headed protease inhibitor UBE INDUSTRIES, LTD. (JP) 2022-10-11 US disclosed
US-20200347011-A1 DOUBLE-HEADED PROTEASE INHIBITOR UBE INDUSTRIES, LTD. (JP) 2020-11-05 US disclosed
EP-3705471-A1 DOUBLE-HEADED PROTEASE INHIBITOR UBE Industries, Ltd. (JP) 2020-09-09 EP disclosed
CN-111542511-A Double-headed inhibitors of proteolytic enzymes 宇部兴产株式会社 2020-08-14 CN disclosed
EP-3239142-B1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-07-03 EP disclosed
EP-3105213-B1 DIHYDROBENZOFURAN COMPOUNDS USEFUL IN THE TREATMENT OF DIABETES AND OBESITY TAKEDA PHARMACEUTICALS CO (JP) 2019-01-09 EP disclosed
US-9975903-B2 Condensed heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-22 US disclosed
US-9969705-B2 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-15 US disclosed
CN-105980370-B Fused Heterocyclic Compounds 武田药品工业株式会社 2018-03-02 CN disclosed
US-20170349605-A1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-07 US disclosed
EP-3239142-A1 CONDENSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-11-01 EP disclosed
US-20160355494-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-08 US disclosed
US-9346776-B2 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-24 US disclosed
US-20150225361-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-13 US 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 (5 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-20200347011-A1 DOUBLE-HEADED PROTEASE INHIBITOR TMPRSS15, SPINT2, PRSS2 SLC6A2 2545/4885SLC6A3 2098/4885PTGS1 773/4885
US-11465965-B2 Double-headed protease inhibitor TMPRSS15, SPINT2, PRSS2 SLC6A2 2545/4885SLC6A3 2098/4885PTGS1 773/4885
US-20150225361-A1 FUSED HETEROCYCLIC COMPOUND VIP, DPP4, TMPRSS15 SLC6A2 1733/4885SLC6A3 1136/4885PTGS1 277/4885
US-20160355494-A1 FUSED HETEROCYCLIC COMPOUND VIP, DPP4, TMPRSS15 SLC6A2 1733/4885SLC6A3 1136/4885PTGS1 277/4885
US-20170349605-A1 CONDENSED HETEROCYCLIC COMPOUND VIP, TMPRSS15, MMP2 SLC6A2 1006/4885SLC6A3 1003/4885PTGS1 216/4885

“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.