SCHEMBL5882941

SCHEMBL5882941

COc1cc(C=O)c(C=CC(=O)O)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.56
KDM4E B2RXH2 9/20 0.56
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HSD17B10 Q99714 3/20 0.56
HPGD P15428 2/20 0.56
ALOX15 P16050 2/20 0.56
MAPK1 P28482 1/20 0.56
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PKM P14618 2/20 0.53
HTR1A P08908 1/20 0.53
HTR2C P28335 1/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
PRKDC P78527 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49

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
SCHEMBL5882934 1.00 NFE2L2 (0.56) NFE2L2KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL30871940 0.85 NFE2L2 (0.76) NFE2L2KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL715805 0.85 NFE2L2 (0.76) NFE2L2KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL715804 0.85 NFE2L2 (0.76) NFE2L2KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6852555 0.85 NFE2L2 (0.69) NFE2L2KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6852559 0.85 NFE2L2 (0.69) NFE2L2KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL14314339 0.84 NFE2L2 (0.54) NFE2L2KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL17821906 0.82 ALDH1A1 (0.57) NFE2L2KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL17821908 0.82 ALDH1A1 (0.57) NFE2L2KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2338994 0.81 PRKDC (0.58) NFE2L2KDM4EALDH1A1SMN1; SMN2HSD17B10

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 NFE2L2 2620/4885KDM4E 1998/4885ALDH1A1 2850/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS NFE2L2 2620/4885KDM4E 1998/4885ALDH1A1 2850/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS NFE2L2 2620/4885KDM4E 1998/4885ALDH1A1 2850/4885

“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.