SCHEMBL2539073

SCHEMBL2539073

O=S(=O)(NCC1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)c1cc(Cl)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.47
CNR2 P34972 5/20 0.47
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
POLB P06746 1/20 0.36
PDE5A O76074 1/20 0.35
NR3C2 P08235 2/20 0.35
DRD2 P14416 1/20 0.35
ADRA1D P25100 1/20 0.35
PRKCZ Q05513 2/20 0.35
ALPL P05186 1/20 0.34
ACLY P53396 1/20 0.34

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
SCHEMBL2540594 1.00 CNR1 (0.47) CNR1CNR2ADRA1AADRA1BPOLB
SCHEMBL2539070 1.00 CNR1 (0.47) CNR1CNR2ADRA1AADRA1BPOLB
SCHEMBL2541801 0.95 CNR1 (0.45) CNR1CNR2ADRA1AADRA1BPOLB
SCHEMBL2540605 0.95 CNR1 (0.45) CNR1CNR2ADRA1AADRA1BPOLB
SCHEMBL2540781 0.95 CNR1 (0.45) CNR1CNR2ADRA1AADRA1BPOLB
SCHEMBL2536901 0.94 CNR1 (0.45) CNR1CNR2PDE5ANR3C2PRKCZ
SCHEMBL2536728 0.93 CNR1 (0.45) CNR1CNR2ADRA1AADRA1BPDE5A
SCHEMBL2543154 0.93 CNR1 (0.48) CNR1CNR2ADRA1AADRA1BPOLB
SCHEMBL2536787 0.93 CNR1 (0.48) CNR1CNR2ADRA1AADRA1BPOLB
SCHEMBL2536781 0.93 CNR1 (0.48) CNR1CNR2ADRA1AADRA1BPOLB

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 1/4885ADRA1A 160/4885

“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.