SCHEMBL1492701

SCHEMBL1492701

CC(C)(C(=O)O)c1cc(Br)cs1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
GSK3B P49841 1/20 0.36
GLRA3 O75311 1/20 0.34
GLRB P48167 1/20 0.34
ALAD P13716 1/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PPARA Q07869 2/20 0.32
DAO P14920 2/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR35 Q9HC97 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL126436 0.80 DAO (0.48) GLRA3GLRBHCAR3HCAR2DAO
SCHEMBL24036274 0.79 CES2 (0.38) CES2CES1ALDH1A1LMNAGSK3B
SCHEMBL126435 0.78 GLRA3 (0.33) GLRA3GLRBDAO
SCHEMBL5331438 0.77 CES2 (0.39) CES2CES1ALDH1A1LMNAGSK3B
SCHEMBL129508 0.74 MAPT (0.33) ALDH1A1GLRA3GLRBDAOCYP1A2
SCHEMBL10022930 0.73 CES2 (0.36) CES2CES1ALDH1A1LMNAGSK3B
SCHEMBL13759874 0.69 ALDH1A1 (0.37) CES2CES1ALDH1A1LMNAGSK3B
SCHEMBL4368952 0.69 CYP1A2 (0.35) ALDH1A1PPARADAOGPR35CYP1A2
SCHEMBL4413205 0.68 NOTUM (0.38) ALDH1A1TSHRSMN1; SMN2
SCHEMBL1492685 0.68 DAO (0.45) CES2CES1ALDH1A1LMNAGSK3B

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 CES2 1477/4885CES1 432/4885ALDH1A1 2026/4885

“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.