SCHEMBL5882290

SCHEMBL5882290

CCc1ccc(OCC2CCCC2)c(C(Nc2ccc(C#N)cc2)C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
XDH P47989 3/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
EPHX2 P34913 1/20 0.36
C5AR1 P21730 2/20 0.36
KDM1A O60341 1/20 0.36
F10 P00742 2/20 0.36
SLC6A9 P48067 1/20 0.35
P2RX3 P56373 2/20 0.35
PPARG P37231 1/20 0.35
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
F7 P08709 2/20 0.35
F3 P13726 2/20 0.35
PRSS3 P35030 2/20 0.35

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
SCHEMBL5882296 1.00 KEAP1 (0.39) KEAP1NFE2L2XDHPTGDR2EPHX2
SCHEMBL5882432 0.96 EPHX2 (0.37) XDHEPHX2KDM1AF10P2RX3
SCHEMBL5882438 0.96 EPHX2 (0.37) XDHEPHX2KDM1AF10P2RX3
SCHEMBL5882878 0.88 PRSS1 (0.40) XDHEPHX2F10F2PRSS1
SCHEMBL5881962 0.88 F10 (0.41) PTGDR2EPHX2F10F2PRSS1
SCHEMBL5881959 0.88 F10 (0.41) PTGDR2EPHX2F10F2PRSS1
SCHEMBL5883360 0.85 PTGDR2 (0.43) PTGDR2F10F2PRSS1PRSS2
SCHEMBL5882871 0.85 F10 (0.52) F10F2PRSS1PRSS2F7
SCHEMBL5882876 0.85 F10 (0.52) F10F2PRSS1PRSS2F7
SCHEMBL5883198 0.84 F10 (0.36) PTGDR2EPHX2F10PPARGF2

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 KEAP1 2088/4885NFE2L2 2620/4885XDH 337/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS KEAP1 2088/4885NFE2L2 2620/4885XDH 337/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS KEAP1 2088/4885NFE2L2 2620/4885XDH 337/4885

“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.