SCHEMBL2543746

SCHEMBL2543746

COC(=O)c1ccc(OC)c(S(=O)(=O)NCC2=NN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.44
CNR2 P34972 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALPL P05186 3/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE5A O76074 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL2539772 0.91 L3MBTL1 (0.48) CNR1CNR2SMN1; SMN2ALDH1A1ALPL
SCHEMBL2543785 0.88 L3MBTL1 (0.44) CNR1CNR2SMN1; SMN2ALPLTP53
SCHEMBL2537122 0.88 ALDH1A1 (0.46) CNR1CNR2SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL2535558 0.88 KMT2A (0.47) CNR1CNR2SMN1; SMN2ALDH1A1TP53
SCHEMBL2536826 0.87 SMN1; SMN2 (0.46) CNR1CNR2SMN1; SMN2TP53L3MBTL1
SCHEMBL2540535 0.87 L3MBTL1 (0.46) CNR1CNR2SMN1; SMN2ALDH1A1ALPL
SCHEMBL2541905 0.86 ALDH1A1 (0.46) CNR1CNR2SMN1; SMN2ALDH1A1TP53
SCHEMBL2545163 0.84 CNR1 (0.44) CNR1CNR2SMN1; SMN2ALDH1A1TP53
SCHEMBL2543247 0.84 ALDH1A1 (0.45) CNR1CNR2SMN1; SMN2ALDH1A1TP53
SCHEMBL2541629 0.84 LMNA (0.52) CNR1CNR2SMN1; SMN2ALPLTP53

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 1/4885SMN1; SMN2 2643/4885

“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.