SCHEMBL5883259

SCHEMBL5883259

CCCc1cc(CC)cc(C(Nc2ccc(C#N)cc2)C(=O)O)c1OCC(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 3/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
PRSS3 P35030 1/20 0.34
SQOR Q9Y6N5 1/20 0.33
MEN1 O00255 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
PPARG P37231 3/20 0.32
PPARA Q07869 2/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPK1 P28482 2/20 0.32

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
SCHEMBL5882990 0.92 F2 (0.36) PSMB5KMT2AMAPTGLAHPGD
SCHEMBL5882552 0.91 PSMB5 (0.37) PSMB5KMT2AMAPTF10PRSS1
SCHEMBL5881897 0.86 F2 (0.41) KMT2AHPGDF10PRSS1PRSS2
SCHEMBL5881901 0.86 F2 (0.41) KMT2AHPGDF10PRSS1PRSS2
SCHEMBL5883615 0.86 PSMB5 (0.35) PSMB5KMT2AMAPTF10PRSS1
SCHEMBL5883612 0.86 PSMB5 (0.35) PSMB5KMT2AMAPTF10PRSS1
SCHEMBL5883029 0.85 PRSS1 (0.35) PSMB5F10PRSS1PRSS2F7
SCHEMBL5883024 0.85 PRSS1 (0.35) PSMB5F10PRSS1PRSS2F7
SCHEMBL5882403 0.85 PSMB5 (0.35) PSMB5KMT2AMAPTPRSS1PRSS2
SCHEMBL5883419 0.85 SCN7A (0.37) PSMB5KMT2AMAPTALDH1A1POLB

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 PSMB5 4326/4885KMT2A 3023/4885MAPT 1417/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PSMB5 4326/4885KMT2A 3023/4885MAPT 1417/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PSMB5 4326/4885KMT2A 3023/4885MAPT 1417/4885

“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.