SCHEMBL5883455

SCHEMBL5883455

CCCc1cc(CC)cc(C(Nc2ccc(C#N)cc2)C(=O)O)c1OCC1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.34
PRSS2 P07478 3/20 0.34
F7 P08709 3/20 0.34
F3 P13726 3/20 0.34
PRSS3 P35030 3/20 0.34
F2 P00734 2/20 0.34
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
PSMB5 P28074 1/20 0.33
EPHX2 P34913 1/20 0.33
F10 P00742 3/20 0.32
PPARA Q07869 2/20 0.32
PPARD Q03181 1/20 0.32
KDM1A O60341 1/20 0.32
FFAR1 O14842 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
CNR1 P21554 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
SCHEMBL5883457 1.00 PRSS1 (0.34) PRSS1PRSS2F7F3PRSS3
SCHEMBL5883500 0.99 THRA (0.35) PRSS1PRSS2F7F3PRSS3
SCHEMBL5883502 0.99 THRA (0.35) PRSS1PRSS2F7F3PRSS3
SCHEMBL5883024 0.96 PRSS1 (0.35) PRSS1PRSS2F7F3PRSS3
SCHEMBL5883029 0.96 PRSS1 (0.35) PRSS1PRSS2F7F3PRSS3
SCHEMBL5883375 0.89 PRSS1 (0.38) PRSS1PRSS2F7F3PRSS3
SCHEMBL5882552 0.87 PSMB5 (0.37) PRSS1PRSS2F7F3PRSS3
SCHEMBL5882578 0.86 F7 (0.49) PRSS1PRSS2F7F3PRSS3
SCHEMBL6735968 0.86 F7 (0.49) PRSS1PRSS2F7F3PRSS3
SCHEMBL5882548 0.86 F7 (0.48) PRSS1PRSS2F7F3PRSS3

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 PRSS1 534/4885PRSS2 746/4885F7 1019/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PRSS1 534/4885PRSS2 746/4885F7 1019/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PRSS1 534/4885PRSS2 746/4885F7 1019/4885

“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.