SCHEMBL1492685

SCHEMBL1492685

CC(C)(C(=O)O)c1ccc(Br)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.45
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
GSK3B P49841 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PPARA Q07869 3/20 0.33
ESR1 P03372 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TGM2 P21980 1/20 0.32
TGM1 P22735 1/20 0.32

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
SCHEMBL1818997 0.82 DAO (0.44) DAOCES2CES1GSK3BLMNA
SCHEMBL31283735 0.82 DAO (0.44) DAOCES2CES1GSK3BLMNA
SCHEMBL1819000 0.82 DAO (0.44) DAOCES2CES1GSK3BLMNA
SCHEMBL16099474 0.82 DAO (0.44) DAOCES2CES1GSK3BLMNA
SCHEMBL132098 0.78 DAO (0.47) DAOLMNATSHRKMT2AALDH1A1
SCHEMBL27736198 0.76 DAO (0.55) DAOLMNATSHRKMT2AALDH1A1
SCHEMBL132097 0.76 TSHR (0.37) DAOLMNATSHRKMT2AMAPK1
SCHEMBL6080826 0.76 LMNA (0.34) DAOLMNATSHRKMT2AALDH1A1
SCHEMBL1164060 0.74 CES2 (0.38) DAOCES2CES1GSK3BLMNA
SCHEMBL128373 0.72 TSHR (0.34) DAOLMNATSHRKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102083794-A Urea compounds as gamma secretase modulators AMGEN INC 2011-06-01 CN disclosed
US-20110118234-A1 Urea Compounds as Gamma Secretase Modulators AMGEN INC. 2011-05-19 US disclosed
EP-2300427-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2011-03-30 EP disclosed
WO-2009137404-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-11-12 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 (1 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-20110118234-A1 Urea Compounds as Gamma Secretase Modulators BACE1, BACE2, PSEN1 DAO 3135/4885CES2 1477/4885CES1 432/4885

“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.