SCHEMBL5882295

SCHEMBL5882295

COc1cc(Br)cc(C=O)c1OCC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
CYP1A2 P05177 1/20 0.72
CYP2C19 P33261 1/20 0.72
PTGDR2 Q9Y5Y4 3/20 0.57
ERN1 O75460 1/20 0.55
TSHR P16473 2/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.45
POLB P06746 3/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
AKR1B1 P15121 1/20 0.42
MAPT P10636 1/20 0.42
PRKDC P78527 1/20 0.41
MIF P14174 1/20 0.41

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
SCHEMBL5882537 0.84 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C19PTGDR2ERN1
SCHEMBL5883425 0.83 KDM4E (0.66) ALDH1A1CYP1A2CYP2C19PTGDR2ERN1
SCHEMBL38659181 0.82 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP2C19PTGDR2ERN1
SCHEMBL5883701 0.82 PTGDR2 (0.59) ALDH1A1CYP1A2CYP2C19PTGDR2ERN1
SCHEMBL5883229 0.81 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C19PTGDR2ERN1
SCHEMBL295318 0.81 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2C19PTGDR2ERN1
SCHEMBL127848 0.80 ERN1 (0.66) ALDH1A1CYP1A2CYP2C19ERN1TSHR
SCHEMBL2297743 0.79 PTGDR2 (0.56) ALDH1A1CYP1A2CYP2C19PTGDR2ERN1
SCHEMBL4449204 0.79 CYP2C19 (0.60) ALDH1A1CYP1A2CYP2C19PTGDR2ERN1
SCHEMBL29953284 0.79 ERN1 (0.59) ALDH1A1CYP1A2CYP2C19PTGDR2ERN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
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.