SCHEMBL2539503

SCHEMBL2539503

COc1ccc(C2CC(CNS(=O)(=O)c3ccc(C)c(F)c3)=NN2c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.43
CNR2 P34972 5/20 0.43
L3MBTL1 Q9Y468 5/20 0.41
EGFR P00533 1/20 0.40
KDR P35968 1/20 0.40
TP53 P04637 2/20 0.40
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
NOD1 Q9Y239 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL2545237 0.94 CNR1 (0.43) CNR1CNR2L3MBTL1EGFRKDR
SCHEMBL2538545 0.93 CNR1 (0.48) CNR1CNR2KMT2AMAPT
SCHEMBL2540571 0.93 CNR1 (0.43) CNR1CNR2L3MBTL1ALDH1A1KMT2A
SCHEMBL2539575 0.92 CNR1 (0.42) CNR1CNR2L3MBTL1EGFRKDR
SCHEMBL4781479 0.90 CNR1 (0.51) CNR1CNR2L3MBTL1EGFRKDR
SCHEMBL2540077 0.90 CNR1 (0.51) CNR1CNR2L3MBTL1EGFRKDR
SCHEMBL2537616 0.89 CNR1 (0.47) CNR1CNR2L3MBTL1EGFRKDR
SCHEMBL2539757 0.89 CNR1 (0.48) CNR1CNR2L3MBTL1EGFRKDR
SCHEMBL2543178 0.88 CNR1 (0.47) CNR1CNR2ALDH1A1KMT2AGAA
SCHEMBL2538885 0.88 RAB9A (0.47) CNR1CNR2L3MBTL1EGFRKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044053-B2 Sulfonamide substituted pyrazoline compounds, their preparation and use as CB1 modulators LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2011-10-25 US claimed
US-20100184772-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-07-22 US claimed
EP-2079701-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-07-22 EP claimed
WO-2008043544-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-04-17 WO claimed
US-8044053-B2 Sulfonamide substituted pyrazoline compounds, their preparation and use as CB1 modulators LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2011-10-25 US disclosed
US-8044053-B2 Sulfonamide substituted pyrazoline compounds, their preparation and use as CB1 modulators LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2011-10-25 US disclosed
US-8044053-B2 Sulfonamide substituted pyrazoline compounds, their preparation and use as CB1 modulators LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2011-10-25 US disclosed
US-20100184772-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-07-22 US disclosed
US-20100184772-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-07-22 US disclosed
US-20100184772-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-07-22 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-20100184772-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS CNR2, CNR1, FAAH CNR1 2/4885CNR2 1/4885L3MBTL1 4883/4885

“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.