SCHEMBL5883391

SCHEMBL5883391

CCc1cc(OCC2CCCO2)cc(C(Nc2ccc(C#N)cc2)C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.50
PRSS2 P07478 7/20 0.50
F7 P08709 7/20 0.50
F3 P13726 7/20 0.50
PRSS3 P35030 7/20 0.50
F2 P00734 5/20 0.50
RAB9A P51151 7/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
F10 P00742 6/20 0.42
ACACB O00763 1/20 0.42
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5883399 1.00 PRSS1 (0.50) PRSS1PRSS2F7F3PRSS3
SCHEMBL5882362 0.86 F7 (0.68) PRSS1PRSS2F7F3PRSS3
Hydrochloric Acid SCHEMBL5882575 0.86 F7 (0.67) PRSS1PRSS2F7F3PRSS3
Hydrochloric Acid SCHEMBL5882583 0.86 F7 (0.67) PRSS1PRSS2F7F3PRSS3
SCHEMBL5882560 0.82 PRSS1 (0.61) PRSS1PRSS2F7F3PRSS3
SCHEMBL5882740 0.81 PRSS1 (0.73) PRSS1PRSS2F7F3PRSS3
SCHEMBL5882824 0.81 F7 (0.47) PRSS1PRSS2F7F3PRSS3
SCHEMBL5882773 0.80 F7 (0.53) PRSS1PRSS2F7F3PRSS3
SCHEMBL5881981 0.80 F7 (0.48) PRSS1PRSS2F7F3PRSS3
SCHEMBL7411481 0.80 F7 (0.45) PRSS1PRSS2F7F3PRSS3

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 PRSS1 534/4885PRSS2 746/4885F7 1019/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PRSS1 534/4885PRSS2 746/4885F7 1019/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PRSS1 534/4885PRSS2 746/4885F7 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.