SCHEMBL5882824

SCHEMBL5882824

CCc1cc(OCC(C)C)cc(C(Nc2ccc(C#N)cc2)C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F7 P08709 11/20 0.47
F3 P13726 11/20 0.47
PRSS1 P07477 10/20 0.47
PRSS2 P07478 10/20 0.47
PRSS3 P35030 10/20 0.47
F10 P00742 10/20 0.47
F2 P00734 8/20 0.46
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
ACACB O00763 5/20 0.37
MAPT P10636 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL5882515 0.90 F10 (0.59) F7F3PRSS1PRSS2PRSS3
SCHEMBL5881981 0.87 F7 (0.48) F7F3PRSS1PRSS2PRSS3
SCHEMBL5883233 0.86 F7 (0.45) F7F3PRSS1PRSS2PRSS3
SCHEMBL5883106 0.84 F7 (0.47) F7F3PRSS1PRSS2PRSS3
SCHEMBL5883834 0.83 F7 (0.56) F7F3PRSS1PRSS2PRSS3
SCHEMBL5883105 0.83 F7 (0.70) F7F3PRSS1PRSS2PRSS3
SCHEMBL5882556 0.82 F10 (0.66) F7F3PRSS1PRSS2PRSS3
SCHEMBL5882724 0.82 F7 (0.55) F7F3PRSS1PRSS2PRSS3
SCHEMBL5883339 0.82 F7 (0.42) F7F3PRSS1PRSS2PRSS3
SCHEMBL5882369 0.82 KCNA5 (0.46) F7F3PRSS1PRSS2PRSS3

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 F7 1019/4885F3 2017/4885PRSS1 534/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS F7 1019/4885F3 2017/4885PRSS1 534/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS F7 1019/4885F3 2017/4885PRSS1 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.