SCHEMBL5883352

SCHEMBL5883352

Cc1cc(OCC(N)=O)c(C(C)C)cc1C(Nc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.39
LMNA P02545 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
F10 P00742 3/20 0.37
F7 P08709 3/20 0.37
F3 P13726 3/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
F2 P00734 2/20 0.35
MCL1 Q07820 1/20 0.34
HIF1A Q16665 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
RAB9A P51151 1/20 0.34
CEPT1 Q9Y6K0 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
SCHEMBL5883080 0.85 F7 (0.44) CTDSP1LMNAMEN1KMT2AALDH1A1
SCHEMBL5882834 0.85 F7 (0.53) F10F7F3PRSS1PRSS2
SCHEMBL5883001 0.85 MEN1 (0.37) MEN1KMT2AALDH1A1PRSS1MCL1
Hydrochloric Acid SCHEMBL5882550 0.84 F7 (0.53) F10F7F3PRSS1PRSS2
SCHEMBL5882559 0.81 PTGDR2 (0.43) F10F7F3PRSS1PRSS2
SCHEMBL5883523 0.80 F10 (0.41) CTDSP1LMNAMEN1KMT2AALDH1A1
SCHEMBL5882365 0.79 F10 (0.40) CTDSP1LMNAMEN1KMT2AALDH1A1
SCHEMBL5882478 0.79 F10 (0.46) LMNAMEN1KMT2AALDH1A1F10
SCHEMBL5883555 0.79 MEN1 (0.45) LMNAMEN1KMT2AALDH1A1F10
SCHEMBL5883096 0.78 F10 (0.38) LMNAMEN1KMT2AALDH1A1F10

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 CTDSP1 3114/4885LMNA 2613/4885MEN1 604/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS CTDSP1 3114/4885LMNA 2613/4885MEN1 604/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS CTDSP1 3114/4885LMNA 2613/4885MEN1 604/4885

“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.