SCHEMBL908908

SCHEMBL908908

CC(=O)C(Br)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
BRD4 O60885 1/20 0.46
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
GSK3B P49841 3/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NLRP1 Q9C000 1/20 0.42
SRD5A2 P31213 1/20 0.41
MAPK1 P28482 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
SCHEMBL20995299 0.87 CES2 (0.54) CES2CES1ALOX15TSHRGSK3B
SCHEMBL20995293 0.82 CES2 (0.62) CES2CES1ALOX15TSHRGSK3B
SCHEMBL15458715 0.82 ALDH1A1 (0.48) CES2CES1GSK3BALDH1A1HPGD
SCHEMBL20995296 0.80 CES2 (0.61) CES2CES1ALOX15TSHRGSK3B
SCHEMBL2491977 0.80 CES2 (0.46) CES2CES1ALOX15TSHRGSK3B
SCHEMBL15751600 0.79 L3MBTL1 (0.47) CES2CES1ALOX15TSHRGSK3B
SCHEMBL330589 0.79 L3MBTL1 (0.48) CES2CES1TSHRGSK3BALDH1A1
SCHEMBL634548 0.79 CES2 (0.50) CES2CES1ALOX15TSHRGSK3B
SCHEMBL3424507 0.79 GSK3B (0.61) CES2CES1ALOX15TSHRGSK3B
SCHEMBL1481505 0.77 CES2 (0.52) CES2CES1ALOX15TSHRGSK3B

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-7875646-B2 Cannabinoid receptor antagonist; N-{[5-(4-chlorophenyl)-4-cyano-1-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]methyl}-3-cyanobenzenesulfonamide; psychiatric disorder, substance dependence and withdrawal disorder, cognitive disorder, ADD, neurodegenerative diseases, pain, eating disorders, dyslipidemia, ulcer SANOFI-AVENTIS (FR) 2011-01-25 US disclosed
EP-1878723-B1 N-[(1,5-diphenyl-1H-pyrazol-3-yl)methyl]sulfonamide derivatives antagonists of the CB1 cannabinoids receptors SANOFI AVENTIS (FR) 2010-05-26 EP disclosed
US-20080070962-A1 DERIVATIVES OF N-[(1,5-DIPHENYL-1H-PYRAZOL-3-YL)METHYL] SULFONAMIDE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-03-20 US disclosed
EP-1878723-A1 N-[(1,5-diphenyl-1H-pyrazol-3-yl)methyl]sulfonamide derivatives antagonists of the CB1 cannabinoids receptors Sanofi-Aventis (FR) 2008-01-16 EP disclosed
US-7297710-B1 Derivatives of N-[(1,5-diphenyl-1H-pyrazol-3-yl)methyl]sulfonamide, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2007-11-20 US 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-20080070962-A1 DERIVATIVES OF N-[(1,5-DIPHENYL-1H-PYRAZOL-3-YL)METHYL] SULFONAMIDE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS PRMT5, PRMT3, PRMT1 CES2 2005/4885CES1 1042/4885BRD4 112/4885

“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.