SCHEMBL4090534

SCHEMBL4090534

NC(=O)Cc1cc(Br)cs1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
GSK3B P49841 1/20 0.41
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MEN1 O00255 2/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CA2 P00918 1/20 0.33
DAO P14920 1/20 0.33
KMT2A Q03164 1/20 0.33
MGMT P16455 1/20 0.33
SIRT1 Q96EB6 1/20 0.33

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
SCHEMBL1492936 0.81 CES2 (0.45) LMNAALDH1A1CES2CES1GSK3B
SCHEMBL2791051 0.79 GSK3B (0.46) LMNAALDH1A1CES2CES1GSK3B
SCHEMBL7607766 0.79 CES2 (0.43) LMNAALDH1A1CES2CES1GSK3B
SCHEMBL27691009 0.79 CA2 (0.42) ALDH1A1HTTCA2DAO
SCHEMBL11725003 0.79 CES2 (0.43) LMNAALDH1A1CES2CES1GSK3B
SCHEMBL7384491 0.78 DAO (0.44) ALDH1A1MEN1HTTSMN1; SMN2CA2
SCHEMBL13067953 0.76 CES2 (0.45) LMNAALDH1A1CES2CES1GSK3B
SCHEMBL26349154 0.75 ALDH1A1 (0.42) LMNAALDH1A1CES2CES1GSK3B
SCHEMBL2332944 0.75 HSP90AB1 (0.43) LMNAALDH1A1CES2CES1GSK3B
SCHEMBL13028665 0.75 CES2 (0.39) LMNAALDH1A1CES2CES1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
EP-1861384-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2007-12-05 EP disclosed
EP-1814871-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-08-08 EP disclosed
WO-2006100502-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS STERIX LIMITED (GB) 2006-09-28 WO disclosed
WO-2006053791-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-05-26 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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 LMNA 4234/4885ALDH1A1 437/4885CES2 364/4885

“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.