SCHEMBL2545174

SCHEMBL2545174

O=S(=O)(NCC1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)c1cccc(Cl)c1F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.45
CNR2 P34972 5/20 0.45
CCR2 P41597 3/20 0.39
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
HTR6 P50406 1/20 0.35
ACLY P53396 1/20 0.34
PRKCZ Q05513 2/20 0.34
POLB P06746 1/20 0.34
PDE5A O76074 1/20 0.34
PKM P14618 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
SCHEMBL2538893 0.92 CNR1 (0.42) CNR1CNR2CCR2ADRA1AADRA1B
SCHEMBL2543516 0.91 CNR1 (0.41) CNR1CNR2CCR2ADRA1AADRA1B
SCHEMBL2537280 0.91 CNR1 (0.41) CNR1CNR2CCR2ADRA1AADRA1B
SCHEMBL2537282 0.91 CNR1 (0.41) CNR1CNR2CCR2ADRA1AADRA1B
SCHEMBL2537645 0.91 CNR1 (0.47) CNR1CNR2PRKCZPOLBPDE5A
SCHEMBL2536110 0.91 CNR1 (0.50) CNR1CNR2PRKCZPOLB
SCHEMBL2536781 0.90 CNR1 (0.48) CNR1CNR2ADRA1AADRA1BACLY
SCHEMBL2536787 0.90 CNR1 (0.48) CNR1CNR2ADRA1AADRA1BACLY
SCHEMBL2543154 0.90 CNR1 (0.48) CNR1CNR2ADRA1AADRA1BACLY
SCHEMBL2545423 0.90 CNR1 (0.45) CNR1CNR2PRKCZPOLBPDE5A

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
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 1/4885CCR2 1176/4885

“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.