SCHEMBL5883607

SCHEMBL5883607

CCCc1cc(C)cc(C(Nc2ccc(C#N)cc2)C(=O)O)c1OCCO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.35
IDO1 P14902 2/20 0.35
MMP2 P08253 2/20 0.34
F10 P00742 2/20 0.34
F7 P08709 2/20 0.34
F3 P13726 2/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
PSMB5 P28074 1/20 0.34
PPARG P37231 5/20 0.33
PTGES O14684 3/20 0.33
ALOX5 P09917 3/20 0.33
PPARA Q07869 4/20 0.33
PPARD Q03181 1/20 0.33
F2 P00734 1/20 0.33
KCNA5 P22460 1/20 0.32
PTGER4 P35408 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 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
SCHEMBL5883274 0.88 ALDH1A1 (0.34) MMP2F10F7F3PRSS1
SCHEMBL5882861 0.85 PSMB5 (0.37) CYP2C9MMP2F10F7F3
SCHEMBL5883570 0.84 F7 (0.52) F10F7F3PRSS1PRSS2
SCHEMBL5882729 0.83 MCHR1 (0.37) MMP2F10F7F3PRSS1
SCHEMBL7417401 0.83 F10 (0.41) CYP2C9IDO1F10F7F3
SCHEMBL5882865 0.83 F10 (0.35) IDO1MMP2F10F7F3
SCHEMBL5883615 0.81 PSMB5 (0.35) MMP2F10F7F3PRSS1
SCHEMBL5883612 0.81 PSMB5 (0.35) MMP2F10F7F3PRSS1
SCHEMBL5882529 0.81 F10 (0.38) IDO1MMP2F10F7F3
SCHEMBL5882028 0.80 PPARG (0.37) MMP2F10F7F3PRSS1

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 CYP2C9 2567/4885IDO1 1628/4885MMP2 2755/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS CYP2C9 2567/4885IDO1 1628/4885MMP2 2755/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS CYP2C9 2567/4885IDO1 1628/4885MMP2 2755/4885

“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.