SCHEMBL5882327

SCHEMBL5882327

CCOC(=O)COc1c(OC)cc(Br)cc1C(Nc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 4/20 0.38
GAA P10253 3/20 0.38
PRNP P04156 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MCL1 Q07820 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
CCR5 P51681 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 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
SCHEMBL5882735 0.91 L3MBTL1 (0.41) ALDH1A1CYP1A2CYP2C19L3MBTL1MAPT
SCHEMBL5883043 0.90 GAA (0.47) ALDH1A1CYP1A2CYP2C19L3MBTL1MAPT
SCHEMBL5883270 0.90 HPGD (0.43) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL5882520 0.85 MEN1 (0.40) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL5881873 0.81 L3MBTL1 (0.43) ALDH1A1L3MBTL1MAPTGAAKMT2A
SCHEMBL5883096 0.81 F10 (0.38) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL5882392 0.80 HPGD (0.43) ALDH1A1L3MBTL1MAPTGAAKMT2A
SCHEMBL5882644 0.80 L3MBTL1 (0.43) ALDH1A1CYP1A2CYP2C19L3MBTL1MAPT
SCHEMBL5882928 0.79 F10 (0.41) ALDH1A1CYP1A2CYP2C19L3MBTL1MAPT
SCHEMBL5883259 0.79 PSMB5 (0.37) ALDH1A1L3MBTL1MAPTKMT2AMEN1

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 ALDH1A1 2850/4885CYP1A2 4088/4885CYP2C19 3378/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885CYP1A2 4088/4885CYP2C19 3378/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885CYP1A2 4088/4885CYP2C19 3378/4885

“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.