Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5022879

C[C@@H](NC(=O)c1ccc(-c2cc[n+]([O-])cc2)cc1)[C@@H](Cc1cccc(C(=N)N)c1)C(=O)O.Cl

nearest known ligand 0.82

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 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.82
PRSS1 P07477 18/20 0.82
TMPRSS2 O15393 1/20 0.82
F2 P00734 6/20 0.68
PLG P00747 1/20 0.62
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57

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
SCHEMBL12818865 0.99 F10 (0.83) F10PRSS1TMPRSS2F2PLG
SCHEMBL3062867 0.99 F10 (0.83) F10PRSS1TMPRSS2F2PLG
SCHEMBL12818907 0.99 F10 (0.83) F10PRSS1TMPRSS2F2PLG
SCHEMBL12805651 0.92 F10 (0.71) F10PRSS1TMPRSS2F2PLG
Otamixaban SCHEMBL16588897 0.91 F10 (0.98) F10PRSS1TMPRSS2F2PLG
Otamixaban SCHEMBL7890763 0.91 F10 (0.98) F10PRSS1TMPRSS2F2PLG
Otamixaban SCHEMBL12447697 0.90 F10 (1.00) F10PRSS1TMPRSS2F2PLG
Otamixaban SCHEMBL29426323 0.90 F10 (1.00) F10PRSS1TMPRSS2F2PLG
Otamixaban SCHEMBL52983 0.90 F10 (1.00) F10PRSS1TMPRSS2F2PLG
Otamixaban SCHEMBL12589586 0.90 F10 (1.00) F10PRSS1TMPRSS2F2PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034160-B2 Crystalline forms of a factor Xa inhibitor AVENTIS PHARMACEUTICALS INC. (US) 2006-04-25 US claimed
EP-2691371-B1 BENZOIC ACID SALT OF OTAMIXABAN SANOFI SA (FR) 2015-03-18 EP disclosed
EP-2691371-A1 BENZOIC ACID SALT OF OTAMIXABAN SANOFI (FR) 2014-02-05 EP disclosed
US-20140024684-A1 BENZOIC ACID SALT OF OTAMIXABAN SANOFI (FR) 2014-01-23 US disclosed
WO-2012130821-A1 BENZOIC ACID SALT OF OTAMIXABAN SANOFI (FR) 2012-10-04 WO disclosed
EP-1326838-B1 NOVEL CRYSTALLINE FORMS OF A FACTOR XA INHIBITOR AVENTIS PHARMA INC (US) 2008-05-21 EP disclosed
US-7034160-B2 Crystalline forms of a factor Xa inhibitor AVENTIS PHARMACEUTICALS INC. (US) 2006-04-25 US disclosed
US-20030225144-A1 Novel crystalline forms of a factor Xa inhibitor AVENTIS PHARMACEUTICALS INC. 2003-12-04 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 (2 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-20030225144-A1 Novel crystalline forms of a factor Xa inhibitor SERPINC1, F12, TFPI F10 7/4885PRSS1 93/4885TMPRSS2 233/4885
US-20140024684-A1 BENZOIC ACID SALT OF OTAMIXABAN F11, VKORC1, F10 F10 3/4885PRSS1 655/4885TMPRSS2 793/4885

“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.