SCHEMBL5882441

SCHEMBL5882441

CCc1ccc(OCc2cccnc2)c([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F7 P08709 15/20 0.59
F2 P00734 15/20 0.59
F10 P00742 14/20 0.59
PRSS1 P07477 14/20 0.59
F3 P13726 7/20 0.59
PRSS2 P07478 6/20 0.59
PRSS3 P35030 6/20 0.59
MRGPRX1 Q96LB2 2/20 0.56
KLK8 O60259 1/20 0.42
KLKB1 P03952 1/20 0.42
KLK1 P06870 1/20 0.42
KLK14 Q9P0G3 1/20 0.42
KLK5 Q9Y337 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
GPR132 Q9UNW8 2/20 0.41

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
SCHEMBL5882431 1.00 F7 (0.59) F7F2F10PRSS1F3
SCHEMBL5883820 0.89 F7 (0.61) F7F2F10PRSS1F3
SCHEMBL5883825 0.89 F7 (0.61) F7F2F10PRSS1F3
SCHEMBL5883795 0.85 LRRK2 (0.47) F7F2F10PRSS1F3
SCHEMBL5883203 0.85 F7 (0.58) F7F2F10PRSS1F3
SCHEMBL5883209 0.85 F7 (0.58) F7F2F10PRSS1F3
SCHEMBL5883791 0.85 LRRK2 (0.47) F7F2F10PRSS1F3
SCHEMBL6862034 0.84 F7 (0.53) F7F2F10PRSS1F3
SCHEMBL6862039 0.84 F7 (0.53) F7F2F10PRSS1F3
SCHEMBL5882903 0.83 F7 (0.57) F7F2F10PRSS1F3

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 1019/4885F2 371/4885F10 520/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS F7 1019/4885F2 371/4885F10 520/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS F7 1019/4885F2 371/4885F10 520/4885

“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.