SCHEMBL5883071

SCHEMBL5883071

CCOc1ccc(C(Nc2ccc(C#N)cc2)C(=O)O)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 11/20 0.51
F10 P00742 9/20 0.51
F3 P13726 9/20 0.51
PRSS1 P07477 8/20 0.51
F2 P00734 7/20 0.51
PRSS2 P07478 6/20 0.51
PRSS3 P35030 6/20 0.51
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.45
USP2 O75604 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CREBBP Q92793 1/20 0.44
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
IDO1 P14902 1/20 0.40
AGPAT2 O15120 1/20 0.39

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
SCHEMBL5882483 0.91 F7 (0.51) F7F10F3PRSS1F2
SCHEMBL5882260 0.90 F7 (0.58) F7F10F3PRSS1F2
SCHEMBL5883171 0.88 F10 (0.47) F7F10F3PRSS1F2
SCHEMBL5883507 0.87 F10 (0.54) F7F10F3PRSS1F2
SCHEMBL5882965 0.87 F7 (0.56) F7F10F3PRSS1F2
SCHEMBL5882166 0.86 F7 (0.48) F7F10F3PRSS1F2
SCHEMBL5882497 0.86 F7 (0.49) F7F10F3PRSS1F2
SCHEMBL3856774 0.85 F7 (0.52) F7F10F3PRSS1F2
SCHEMBL5882752 0.85 F7 (0.47) F7F10F3PRSS1F2
SCHEMBL5882830 0.85 F7 (0.47) F7F10F3PRSS1F2

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 1019/4885F10 520/4885F3 2017/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS F7 1019/4885F10 520/4885F3 2017/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS F7 1019/4885F10 520/4885F3 2017/4885

“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.