SCHEMBL2539927

SCHEMBL2539927

O=S(=O)(NCC1=NN(c2ccc(Cl)cc2Cl)[C@@H](c2ccc(Cl)cc2)C1)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.49
CNR2 P34972 5/20 0.49
MCL1 Q07820 1/20 0.42
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
ERAP1 Q9NZ08 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
POLB P06746 1/20 0.37
MDM2 Q00987 1/20 0.36
CRHR1 P34998 1/20 0.34
PDE5A O76074 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
SCHEMBL2537487 1.00 CNR1 (0.49) CNR1CNR2MCL1ALDH1A1NPSR1
SCHEMBL2537482 1.00 CNR1 (0.49) CNR1CNR2MCL1ALDH1A1NPSR1
SCHEMBL2542557 0.93 CNR2 (0.48) CNR1CNR2MCL1ALDH1A1NPSR1
SCHEMBL2540027 0.93 CNR1 (0.47) CNR1CNR2MCL1ALDH1A1NPSR1
SCHEMBL2538852 0.91 CNR1 (0.46) CNR1CNR2MCL1ALDH1A1NPSR1
SCHEMBL2543734 0.91 CNR1 (0.48) CNR1CNR2MCL1TSHRPOLB
SCHEMBL2543740 0.91 CNR1 (0.48) CNR1CNR2MCL1TSHRPOLB
SCHEMBL4781540 0.89 CNR1 (0.59) CNR1CNR2L3MBTL1LMNAMEN1
SCHEMBL2539454 0.88 CNR1 (0.47) CNR1CNR2ALDH1A1NPSR1L3MBTL1
SCHEMBL2545396 0.87 CNR1 (0.51) CNR1CNR2ALDH1A1MAPTTSHR

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 9 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

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 1/4885MCL1 2490/4885

“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.