SCHEMBL5882280

SCHEMBL5882280

CCOc1cc(OCC(=O)c2ccccc2OC)cc(C(Nc2ccc(C#N)cc2)C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
F10 P00742 10/20 0.50
F7 P08709 10/20 0.50
F3 P13726 10/20 0.50
PRSS1 P07477 9/20 0.50
PRSS2 P07478 9/20 0.50
PRSS3 P35030 9/20 0.50
F2 P00734 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 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
SCHEMBL5882282 1.00 L3MBTL1 (0.53) L3MBTL1F10F7F3PRSS1
SCHEMBL5883151 0.87 F10 (0.58) L3MBTL1F10F7F3PRSS1
SCHEMBL5883147 0.87 F10 (0.58) L3MBTL1F10F7F3PRSS1
SCHEMBL5882923 0.87 F7 (0.51) L3MBTL1F10F7F3PRSS1
SCHEMBL5882918 0.87 F7 (0.51) L3MBTL1F10F7F3PRSS1
SCHEMBL5882286 0.85 F10 (0.72) F10F7F3PRSS1PRSS2
SCHEMBL5882273 0.85 F10 (0.72) F10F7F3PRSS1PRSS2
SCHEMBL5882556 0.85 F10 (0.66) L3MBTL1F10F7F3PRSS1
SCHEMBL5883248 0.85 F10 (0.57) F10F7F3PRSS1PRSS2
SCHEMBL5883254 0.85 F10 (0.57) F10F7F3PRSS1PRSS2

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 L3MBTL1 986/4885F10 520/4885F7 1019/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS L3MBTL1 986/4885F10 520/4885F7 1019/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS L3MBTL1 986/4885F10 520/4885F7 1019/4885

“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.