SCHEMBL5883261

SCHEMBL5883261

CCc1ccc(OCCSC)c([C@@H](Nc2ccc(C#N)cc2)C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
PPARG P37231 1/20 0.37
SIRT2 Q8IXJ6 2/20 0.36
F10 P00742 3/20 0.35
PRSS1 P07477 3/20 0.35
F7 P08709 3/20 0.35
PRSS2 P07478 2/20 0.35
F3 P13726 2/20 0.35
PRSS3 P35030 2/20 0.35
F2 P00734 2/20 0.35
GAA P10253 1/20 0.34
CYP2A6 P11509 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
HIF1A Q16665 1/20 0.34
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
CYSLTR2 Q9NS75 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
SCHEMBL5883257 1.00 PTGES (0.37) PTGESALOX5PPARGSIRT2F10
SCHEMBL5883198 0.89 F10 (0.36) PTGESALOX5PPARGSIRT2F10
SCHEMBL5882381 0.88 PDGFRB (0.39) SIRT2F10PRSS1F7PRSS2
Acetic Acid SCHEMBL5882450 0.86 F10 (0.37) PTGESALOX5PPARGSIRT2F10
SCHEMBL5884236 0.86 CACNA1B (0.39) F10PRSS1F7PRSS2F3
SCHEMBL5883360 0.86 PTGDR2 (0.43) F10PRSS1F7PRSS2F3
SCHEMBL5883631 0.86 PTGES (0.41) PTGESALOX5PPARGGAAMEN1
SCHEMBL5883283 0.86 ALDH1A1 (0.39) F10PRSS1F7PRSS2F3
SCHEMBL5883628 0.86 PTGES (0.41) PTGESALOX5PPARGGAAMEN1
SCHEMBL5882725 0.84 F2 (0.50) F10PRSS1F7PRSS2F3

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 PTGES 2629/4885ALOX5 4845/4885PPARG 1718/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PTGES 2629/4885ALOX5 4845/4885PPARG 1718/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PTGES 2629/4885ALOX5 4845/4885PPARG 1718/4885

“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.