SCHEMBL5882837

SCHEMBL5882837

COc1cc(O)c(C(Nc2ccc(C#N)cc2)C(=O)O)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MCL1 Q07820 1/20 0.45
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ACHE P22303 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MMP2 P08253 1/20 0.40
HIF1A Q16665 2/20 0.39
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
PRSS3 P35030 1/20 0.37
PDGFRB P09619 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL5883555 0.88 MEN1 (0.45) MEN1KMT2AMCL1ALDH1A1GAA
SCHEMBL5882495 0.87 MEN1 (0.44) MEN1KMT2AMCL1ALDH1A1GAA
SCHEMBL5882650 0.87 MEN1 (0.44) MEN1KMT2AMCL1ALDH1A1GAA
SCHEMBL5882792 0.84 MEN1 (0.42) MEN1KMT2AMCL1ALDH1A1GAA
SCHEMBL7142637 0.83 F2 (0.49) MEN1KMT2AMCL1ALDH1A1GAA
SCHEMBL7142631 0.83 F2 (0.49) MEN1KMT2AMCL1ALDH1A1GAA
SCHEMBL5883496 0.83 PTGDR2 (0.42) MEN1KMT2AMCL1ALDH1A1GAA
SCHEMBL5882545 0.82 MEN1 (0.41) MEN1KMT2AMCL1ALDH1A1GAA
SCHEMBL5882662 0.82 PDGFRB (0.45) MEN1KMT2AMCL1ALDH1A1GAA
SCHEMBL5882576 0.82 MEN1 (0.47) MEN1KMT2AMCL1ALDH1A1GAA

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 MEN1 604/4885KMT2A 3023/4885MCL1 2646/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MEN1 604/4885KMT2A 3023/4885MCL1 2646/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MEN1 604/4885KMT2A 3023/4885MCL1 2646/4885

“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.