SCHEMBL2539772

SCHEMBL2539772

COc1ccc(Cl)cc1S(=O)(=O)NCC1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 2/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CNR1 P21554 5/20 0.47
CNR2 P34972 5/20 0.47
TP53 P04637 2/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NPC1 O15118 1/20 0.40
ALPL P05186 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL2540535 0.95 L3MBTL1 (0.46) L3MBTL1TSHRKMT2ASMN1; SMN2CNR1
SCHEMBL2537122 0.94 ALDH1A1 (0.46) L3MBTL1TSHRKMT2ASMN1; SMN2CNR1
SCHEMBL2535558 0.94 KMT2A (0.47) L3MBTL1TSHRKMT2ASMN1; SMN2CNR1
SCHEMBL2536826 0.94 SMN1; SMN2 (0.46) L3MBTL1TSHRKMT2ASMN1; SMN2CNR1
SCHEMBL2543785 0.93 L3MBTL1 (0.44) L3MBTL1TSHRKMT2ASMN1; SMN2CNR1
SCHEMBL2541905 0.93 ALDH1A1 (0.46) L3MBTL1TSHRKMT2ASMN1; SMN2CNR1
SCHEMBL2541629 0.92 LMNA (0.52) L3MBTL1TSHRKMT2ASMN1; SMN2CNR1
SCHEMBL2543746 0.91 CNR1 (0.44) L3MBTL1TSHRKMT2ASMN1; SMN2CNR1
SCHEMBL2543247 0.90 ALDH1A1 (0.45) L3MBTL1TSHRKMT2ASMN1; SMN2CNR1
SCHEMBL2543734 0.90 CNR1 (0.48) TSHRCNR1CNR2POLBHPGD

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 L3MBTL1 4883/4885TSHR 1164/4885KMT2A 2634/4885

“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.