SCHEMBL2545396

SCHEMBL2545396

O=S(=O)(NCC1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.51
CNR2 P34972 5/20 0.51
KDM1A O60341 2/20 0.42
CCR1 P32246 2/20 0.42
CCR2 P41597 2/20 0.42
CCR4 P51679 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD11B1 P28845 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39

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
SCHEMBL4781540 0.90 CNR1 (0.59) CNR1CNR2CCR1CCR2MAPT
SCHEMBL2541779 0.90 CNR1 (0.57) CNR1CNR2CCR1HSD11B1
SCHEMBL2542204 0.90 CNR1 (0.57) CNR1CNR2CCR1HSD11B1
SCHEMBL2537391 0.89 CNR1 (0.51) CNR1CNR2CCR1CCR2ALDH1A1
SCHEMBL2540936 0.87 CNR1 (0.58) CNR1CNR2MAPTALDH1A1
SCHEMBL2541649 0.87 CNR1 (0.58) CNR1CNR2MAPTALDH1A1
SCHEMBL2540931 0.87 CNR1 (0.58) CNR1CNR2MAPTALDH1A1
SCHEMBL2537487 0.87 CNR1 (0.49) CNR1CNR2MAPTTSHRALDH1A1
SCHEMBL2537482 0.87 CNR1 (0.49) CNR1CNR2MAPTTSHRALDH1A1
SCHEMBL2539927 0.87 CNR1 (0.49) CNR1CNR2MAPTTSHRALDH1A1

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 11 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
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
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 1/4885KDM1A 2049/4885

“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.