SCHEMBL5882322

SCHEMBL5882322

C=Cc1cc(C=C)cc(C(Nc2ccc(C#N)cc2)C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.45
F10 P00742 2/20 0.45
PRSS2 P07478 2/20 0.45
F7 P08709 2/20 0.45
F3 P13726 2/20 0.45
PRSS3 P35030 2/20 0.45
F2 P00734 2/20 0.45
MMP2 P08253 1/20 0.42
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 3/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NLRP3 Q96P20 1/20 0.35
RAB9A P51151 2/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5882172 0.95 PRSS1 (0.42) PRSS1F10PRSS2F7F3
SCHEMBL5882390 0.89 F10 (0.48) PRSS1F10PRSS2F7F3
SCHEMBL5883688 0.88 MMP2 (0.43) PRSS1F10PRSS2F7F3
SCHEMBL5882510 0.88 F2 (0.39) PRSS1F10PRSS2F7F3
SCHEMBL5884007 0.86 F10 (0.54) PRSS1F10PRSS2F7F3
SCHEMBL5882466 0.85 MMP2 (0.40) PRSS1F10PRSS2F7F3
SCHEMBL5882468 0.85 MMP2 (0.40) PRSS1F10PRSS2F7F3
SCHEMBL5883504 0.83 FAAH (0.39) PRSS1F10PRSS2F7F3
SCHEMBL5882136 0.80 MMP2 (0.45) PRSS1F10PRSS2F7F3
SCHEMBL5881920 0.80 MAPT (0.48) PRSS1F10PRSS2F7F3

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 534/4885F10 520/4885PRSS2 746/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PRSS1 534/4885F10 520/4885PRSS2 746/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PRSS1 534/4885F10 520/4885PRSS2 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.