SCHEMBL2535563

SCHEMBL2535563

O=S(=O)(NCC1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)c1ccc(F)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.49
CNR2 P34972 5/20 0.49
HSD11B1 P28845 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
PKM P14618 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.37
F10 P00742 1/20 0.37
MAPT P10636 1/20 0.36
PDE5A O76074 1/20 0.36

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
SCHEMBL2538552 0.94 CNR1 (0.49) CNR1CNR2MEN1KMT2APKM
SCHEMBL2536001 0.92 CNR1 (0.50) CNR1CNR2MEN1KMT2AFLT1
SCHEMBL2537283 0.92 CNR1 (0.55) CNR1CNR2MEN1KMT2AMAPT
SCHEMBL2539478 0.92 CNR1 (0.49) CNR1CNR2MEN1KMT2APKM
SCHEMBL2538545 0.91 CNR1 (0.48) CNR1CNR2MEN1KMT2APKM
SCHEMBL2537391 0.90 CNR1 (0.51) CNR1CNR2MEN1KMT2APKM
SCHEMBL2543178 0.89 CNR1 (0.47) CNR1CNR2MEN1KMT2AMAPT
SCHEMBL2539073 0.88 CNR1 (0.47) CNR1CNR2PDE5A
SCHEMBL2539070 0.88 CNR1 (0.47) CNR1CNR2PDE5A
SCHEMBL2541779 0.88 CNR1 (0.57) CNR1CNR2HSD11B1MEN1KMT2A

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
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
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 1/4885HSD11B1 2984/4885

“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.