SCHEMBL5882861

SCHEMBL5882861

CCCc1cc(C)c(OCCO)c(C(Nc2ccc(C#N)cc2)C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.37
PPARG P37231 3/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
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
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
F2 P00734 1/20 0.33
PTGER4 P35408 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
MMP2 P08253 3/20 0.32
EP300 Q09472 1/20 0.32
CTSA P10619 1/20 0.32
MMP3 P08254 1/20 0.32
RORC P51449 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
SCHEMBL5883607 0.85 CYP2C9 (0.35) PSMB5PPARGPTGESALOX5F10
SCHEMBL5883859 0.85 PSMB5 (0.40) PSMB5PPARGPTGESALOX5F10
SCHEMBL5882589 0.84 F10 (0.52) F10F7F3PRSS1PRSS2
SCHEMBL5882159 0.83 F7 (0.35) PPARGPTGESALOX5F10F7
SCHEMBL5883331 0.82 F10 (0.34) PPARGPTGESALOX5F10F7
SCHEMBL5882729 0.80 MCHR1 (0.37) PPARGPTGESALOX5F10F7
SCHEMBL5884044 0.79 F7 (0.32) PSMB5PPARGPTGESALOX5F10
SCHEMBL5883055 0.79 F7 (0.34) PPARGPTGESALOX5F10F7
SCHEMBL5884049 0.79 F7 (0.32) PSMB5PPARGPTGESALOX5F10
SCHEMBL5882865 0.79 F10 (0.35) PPARGPTGESALOX5F10F7

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 PSMB5 4326/4885PPARG 1718/4885PTGES 2629/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PSMB5 4326/4885PPARG 1718/4885PTGES 2629/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PSMB5 4326/4885PPARG 1718/4885PTGES 2629/4885

“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.