SCHEMBL5882476

SCHEMBL5882476

CCCc1cc(CC)cc(C(Nc2ccc(C#N)cc2)C(=O)O)c1OCCc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PSMB5 P28074 2/20 0.37
CACNA1F O60840 2/20 0.35
HTR1A P08908 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
DRD2 P14416 2/20 0.35
DRD1 P21728 2/20 0.35
DRD4 P21917 2/20 0.35
DRD5 P21918 2/20 0.35
HRH2 P25021 2/20 0.35
ADRA1D P25100 2/20 0.35
HTR2A P28223 2/20 0.35
HTR7 P34969 2/20 0.35
ADRA1A P35348 2/20 0.35
HRH1 P35367 2/20 0.35
ADRA1B P35368 2/20 0.35
OPRM1 P35372 2/20 0.35
DRD3 P35462 2/20 0.35

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
SCHEMBL5882481 1.00 PPARG (0.40) PPARGPTGESALOX5PSMB5CACNA1F
SCHEMBL5882534 0.92 PPARG (0.37) PPARGPTGESALOX5PSMB5HTR2A
SCHEMBL5882532 0.92 PPARG (0.37) PPARGPTGESALOX5PSMB5HTR2A
SCHEMBL5883145 0.89 HIF1A (0.35) PPARGPTGESALOX5PSMB5PPARA
SCHEMBL5883148 0.89 HIF1A (0.35) PPARGPTGESALOX5PSMB5PPARA
SCHEMBL5883612 0.89 PSMB5 (0.35) PPARGPTGESALOX5PSMB5PPARA
SCHEMBL5883615 0.89 PSMB5 (0.35) PPARGPTGESALOX5PSMB5PPARA
SCHEMBL5881792 0.87 MME (0.33) PPARGPTGESALOX5PSMB5HTR2A
SCHEMBL5881787 0.87 MME (0.33) PPARGPTGESALOX5PSMB5HTR2A
SCHEMBL5882822 0.87 PSMB5 (0.35) PPARGPTGESALOX5PSMB5PPARA

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 PPARG 1718/4885PTGES 2629/4885ALOX5 4845/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PPARG 1718/4885PTGES 2629/4885ALOX5 4845/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PPARG 1718/4885PTGES 2629/4885ALOX5 4845/4885

“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.