SCHEMBL5883232

SCHEMBL5883232

Cc1cc(NC2CCCC2)cc(C(Nc2ccc(C#N)cc2)C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ACKR3 P25106 1/20 0.36
FER P16591 1/20 0.36
MMP2 P08253 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
MCHR1 Q99705 1/20 0.34
HTR1E P28566 1/20 0.34
S1PR3 Q99500 1/20 0.34
CCR6 P51684 1/20 0.34
DPP4 P27487 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL5882983 0.86 PTGS1 (0.44) EPHX1PTGS1PTGS2MMP2F2
Hydrochloric Acid SCHEMBL5881842 0.85 PTGS1 (0.43) EPHX1PTGS1PTGS2MMP2F2
SCHEMBL5882136 0.84 MMP2 (0.45) TSHRRAB9AMMP2ALDH1A1HTT
SCHEMBL5882173 0.82 F7 (0.53) F2F10PRSS1PRSS2F7
Hydrochloric Acid SCHEMBL5882182 0.81 F7 (0.52) F2F10PRSS1PRSS2F7
SCHEMBL5882491 0.81 PRSS1 (0.48) TSHRF2F10PRSS1PRSS2
SCHEMBL5882094 0.80 F10 (0.39) MMP2ALDH1A1HTTF2F10
SCHEMBL5882702 0.79 MMP2 (0.41) TSHRMMP2ALDH1A1HTTF2
SCHEMBL5883111 0.79 MMP2 (0.41) TSHRMMP2ALDH1A1HTTF10
SCHEMBL5883021 0.78 F7 (0.43) EPHX1DPP4F2F10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071212-B2 N-(4-carbamimidoyl-phenyl)-glycine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
EP-1149069-B1 PHENYLGLYCINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2004-02-19 US disclosed
US-6683215-B2 TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION AND ARTERIOSCLEROSIS, WHICH ARE ASSOCIATED WITH COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA AND TISSUE FACTOR; ANTIINFLAMMATORY AGENTS HOFFMAN-LA ROCHE INC. 2004-01-27 US disclosed
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2003-05-01 US disclosed
US-6476264-B2 ANTICOAGULANT HOFFMANN-LA ROCHE INC. 2002-11-05 US disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 US disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 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 (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-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS EPHX1 2427/4885PTGS1 451/4885PTGS2 1837/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS EPHX1 2427/4885PTGS1 451/4885PTGS2 1837/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS EPHX1 2427/4885PTGS1 451/4885PTGS2 1837/4885

“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.