SCHEMBL5882990

SCHEMBL5882990

CCCc1cc(CC)cc(C(Nc2ccc(C#N)cc2)C(=O)O)c1OCC(=O)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.36
F10 P00742 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
F7 P08709 2/20 0.36
F3 P13726 2/20 0.36
PRSS3 P35030 2/20 0.36
KMT2A Q03164 2/20 0.34
PSMB5 P28074 1/20 0.34
CYP19A1 P11511 1/20 0.34
HPGD P15428 2/20 0.33
SGMS2 Q8NHU3 2/20 0.33
AR P10275 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
RORC P51449 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL5883259 0.92 PSMB5 (0.37) F10PRSS1PRSS2F7F3
SCHEMBL5881897 0.92 F2 (0.41) F2F10PRSS1PRSS2F7
SCHEMBL5881901 0.92 F2 (0.41) F2F10PRSS1PRSS2F7
SCHEMBL5882552 0.88 PSMB5 (0.37) F10PRSS1PRSS2F7F3
SCHEMBL5883157 0.88 PRSS1 (0.37) F2F10PRSS1PRSS2F7
SCHEMBL5882195 0.84 KDM5A (0.35) F2F10PRSS1PRSS2F7
SCHEMBL5882189 0.84 KDM5A (0.35) F2F10PRSS1PRSS2F7
SCHEMBL5883337 0.84 PPARG (0.38) KMT2AABCB1ABCG2PPARGPPARA
SCHEMBL5883341 0.84 PPARG (0.38) KMT2AABCB1ABCG2PPARGPPARA
SCHEMBL5883611 0.83 GPR132 (0.40) F2F10PRSS1PRSS2F7

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 F2 371/4885F10 520/4885PRSS1 534/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS F2 371/4885F10 520/4885PRSS1 534/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS F2 371/4885F10 520/4885PRSS1 534/4885

“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.