SCHEMBL5882350

SCHEMBL5882350

CCc1cc(C(Nc2ccc(C#N)cc2)C(=O)O)cc(N2CCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 4/20 0.41
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
F7 P08709 2/20 0.40
F3 P13726 2/20 0.40
PRSS3 P35030 2/20 0.40
F2 P00734 1/20 0.40
PANK3 Q9H999 1/20 0.40
SLC6A3 Q01959 1/20 0.39
HAT1 O14929 1/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
KCNQ2 O43526 1/20 0.38
EPHX2 P34913 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CTSL P07711 1/20 0.36

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
SCHEMBL5883066 0.92 CTSL (0.43) EP300PRSS1PRSS2F7F3
SCHEMBL5882310 0.86 PANK3 (0.42) EP300PANK3SLC6A3HAT1KMT2A
SCHEMBL5883233 0.86 F7 (0.45) PRSS1PRSS2F7F3PRSS3
SCHEMBL5882366 0.83 F7 (0.58) PRSS1PRSS2F7F3PRSS3
Hydrochloric Acid SCHEMBL5882161 0.82 F7 (0.57) PRSS1PRSS2F7F3PRSS3
SCHEMBL5883404 0.82 F7 (0.42) PRSS1PRSS2F7F3PRSS3
SCHEMBL5882940 0.81 F7 (0.46) PRSS1PRSS2F7F3PRSS3
SCHEMBL5882369 0.80 KCNA5 (0.46) PRSS1PRSS2F7F3PRSS3
SCHEMBL5881981 0.79 F7 (0.48) PRSS1PRSS2F7F3PRSS3
SCHEMBL5882536 0.78 F2 (0.42) EP300PRSS1PRSS2F7F3

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 EP300 2379/4885PRSS1 534/4885PRSS2 746/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS EP300 2379/4885PRSS1 534/4885PRSS2 746/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS EP300 2379/4885PRSS1 534/4885PRSS2 746/4885

“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.