SCHEMBL5882983

SCHEMBL5882983

Cc1cc(NC2CCCC2O)cc(C(Nc2ccc(C#N)cc2)C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
SCN9A Q15858 4/20 0.36
EPHX1 P07099 1/20 0.35
PAX8 Q06710 1/20 0.35
DGAT1 O75907 1/20 0.35
F2 P00734 2/20 0.33
F10 P00742 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
F7 P08709 2/20 0.33
F3 P13726 2/20 0.33
PRSS3 P35030 2/20 0.33
CNR1 P21554 1/20 0.33
SYK P43405 1/20 0.33
PANK3 Q9H999 1/20 0.33
GRIA4 P48058 1/20 0.33
MMP2 P08253 1/20 0.33
CHRM1 P11229 1/20 0.32
PGR P06401 1/20 0.32

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 SCHEMBL5881842 0.99 PTGS1 (0.43) PTGS1PTGS2SCN9AEPHX1PAX8
SCHEMBL5883232 0.86 EPHX1 (0.43) PTGS1PTGS2EPHX1F2F10
SCHEMBL5882969 0.83 F7 (0.49) PTGS1PTGS2F2F10PRSS1
SCHEMBL5883839 0.82 PRSS1 (0.42) SCN9APAX8F2F10PRSS1
SCHEMBL27537863 0.82 PTGS1 (0.42) PTGS1PTGS2F2F10PRSS1
SCHEMBL5882136 0.81 MMP2 (0.45) F10PRSS1PRSS2F7F3
SCHEMBL5882094 0.77 F10 (0.39) F2F10PRSS1PRSS2F7
SCHEMBL5882702 0.76 MMP2 (0.41) F2F10PRSS1PRSS2F7
SCHEMBL5883111 0.76 MMP2 (0.41) F10PRSS1PRSS2F7F3
SCHEMBL5882491 0.76 PRSS1 (0.48) DGAT1F2F10PRSS1PRSS2

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-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
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

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 PTGS1 451/4885PTGS2 1837/4885SCN9A 962/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PTGS1 451/4885PTGS2 1837/4885SCN9A 962/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PTGS1 451/4885PTGS2 1837/4885SCN9A 962/4885

“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.