SCHEMBL5881874

SCHEMBL5881874

CCOc1cc(C(Nc2ccc(C#N)cc2)C(=O)O)c(OCCOCc2ccccc2)cc1CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 7/20 0.41
F2 P00734 6/20 0.41
F10 P00742 6/20 0.41
F3 P13726 5/20 0.41
PRSS1 P07477 4/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
CYP19A1 P11511 1/20 0.35
PDCD1 Q15116 3/20 0.35
CD274 Q9NZQ7 3/20 0.35
SGMS2 Q8NHU3 2/20 0.34
PPARG P37231 1/20 0.34
MAOB P27338 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
IDH1 O75874 1/20 0.33
AR P10275 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
F11 P03951 1/20 0.33

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
SCHEMBL5882925 0.92 F2 (0.48) F7F2F10F3PRSS1
Hydrochloric Acid SCHEMBL5883094 0.85 F7 (0.57) F7F2F10F3PRSS1
SCHEMBL5882442 0.85 F2 (0.46) F7F2F10F3PRSS1
SCHEMBL5883000 0.84 F2 (0.36) F7F2F10F3PRSS1
SCHEMBL5881816 0.81 F10 (0.37) F7F2F10F3PRSS1
SCHEMBL5882635 0.78 F10 (0.52) F7F2F10F3PRSS1
SCHEMBL5882529 0.77 F10 (0.38) F7F2F10F3PRSS1
SCHEMBL5883544 0.77 F2 (0.38) F7F2F10F3PRSS1
SCHEMBL5883190 0.77 F2 (0.54) F7F2F10F3PRSS1
SCHEMBL5883884 0.76 F10 (0.38) F7F2F10F3PRSS1

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.