SCHEMBL2535581

SCHEMBL2535581

Cc1ccc(F)cc1S(=O)(=O)NCC1=NN(c2ccc(Cl)cc2Cl)[C@@H](c2ccc(Cl)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.44
CNR2 P34972 5/20 0.44
MEP1B Q16820 1/20 0.38
NR3C2 P08235 2/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
EGFR P00533 1/20 0.36
IDH1 O75874 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL2535584 1.00 CNR1 (0.44) CNR1CNR2MEP1BNR3C2NR3C1
SCHEMBL2539448 1.00 CNR1 (0.44) CNR1CNR2MEP1BNR3C2NR3C1
SCHEMBL2545265 0.95 CNR1 (0.42) CNR1CNR2MEP1BNR3C2NR3C1
SCHEMBL2537261 0.95 CNR1 (0.40) CNR1CNR2MEP1BNR3C2NR3C1
SCHEMBL2545428 0.93 EGFR (0.40) CNR1CNR2NR3C1PGRMAPT
SCHEMBL2541118 0.93 CNR1 (0.44) CNR1CNR2NR3C2NR3C1PGR
SCHEMBL2540964 0.93 CNR1 (0.44) CNR1CNR2NR3C2NR3C1PGR
SCHEMBL2542028 0.92 CNR1 (0.38) CNR1CNR2MEP1BNR3C2NR3C1
SCHEMBL2541801 0.92 CNR1 (0.45) CNR1CNR2NR3C2NR3C1PGR
SCHEMBL2540781 0.92 CNR1 (0.45) CNR1CNR2NR3C2NR3C1PGR

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 13 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
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
EP-1911747-A1 Sulfonamide substituted pyrazoline compounds, their preparation and use as CB1 modulators Laboratorios del Dr. Esteve S.A. (ES) 2008-04-16 EP 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
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 disclosed
EP-1911747-A1 Sulfonamide substituted pyrazoline compounds, their preparation and use as CB1 modulators Laboratorios del Dr. Esteve S.A. (ES) 2008-04-16 EP disclosed
EP-1911747-A1 Sulfonamide substituted pyrazoline compounds, their preparation and use as CB1 modulators Laboratorios del Dr. Esteve S.A. (ES) 2008-04-16 EP 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 1/4885MEP1B 1111/4885

“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.