SCHEMBL2539672

SCHEMBL2539672

O=S(=O)(NCC1=NN(c2ccc(Cl)cc2Cl)[C@@H](c2ccc(Cl)cc2)C1)c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.50
CNR2 P34972 5/20 0.50
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
WDR5 P61964 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP19A1 P11511 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGS2 P35354 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 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
SCHEMBL2538878 1.00 CNR1 (0.50) CNR1CNR2FLT1FLT4KDR
SCHEMBL2542302 0.93 CNR1 (0.54) CNR1CNR2MEN1KMT2ACYP19A1
SCHEMBL2541779 0.92 CNR1 (0.57) CNR1CNR2MEN1KMT2ACYP19A1
SCHEMBL2542204 0.92 CNR1 (0.57) CNR1CNR2MEN1KMT2ACYP19A1
SCHEMBL2538562 0.92 CNR1 (0.47) CNR1CNR2FLT1FLT4KDR
SCHEMBL2541809 0.91 CNR1 (0.46) CNR1CNR2FLT1FLT4KDR
SCHEMBL2535610 0.90 CNR1 (0.48) CNR1CNR2FLT1FLT4KDR
SCHEMBL2537391 0.90 CNR1 (0.51) CNR1CNR2MEN1KMT2ACYP19A1
SCHEMBL2540544 0.90 CNR1 (0.51) CNR1CNR2FLT1FLT4KDR
SCHEMBL2540931 0.89 CNR1 (0.58) CNR1CNR2MEN1KMT2ACYP19A1

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 8 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-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 1/4885FLT1 3257/4885

“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.