SCHEMBL4542561

SCHEMBL4542561

CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 5/20 0.57
▸ NAMPT P43490 10/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ KCNQ3 O43525 2/20 0.51
▸ KCNQ2 O43526 2/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ DDR1 Q08345 1/20 0.49
▸ NR1I2 O75469 1/20 0.48
▸ CACNA1B Q00975 1/20 0.48

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
SCHEMBL5019840 0.93 KCNQ3 (0.59) ELANENAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL4561812 0.92 NAMPT (0.54) ELANENAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL15645501 0.85 NAMPT (0.62) ELANENAMPT
SCHEMBL15646085 0.85 NAMPT (0.58) ELANENAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL15646824 0.85 DDR1 (0.53) ELANEKCNQ3KCNQ2LMNAMAPT
SCHEMBL15647175 0.84 NAMPT (0.60) ELANENAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL12544638 0.81 CACNA1B (0.49) ELANECYP3A4CYP2C9CYP2C19KCNQ3
SCHEMBL15645336 0.80 NAMPT (0.57) NAMPTCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL15645900 0.79 KCNQ3 (0.53) ELANENAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL12543133 0.79 CACNA1B (0.48) ELANECYP3A4CYP2C9CYP2C19KCNQ3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140113898-A1 BISARYLSULFONE AND DIALKYLARYLSULFONE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (US) 2014-04-24 — — US disclosed
US-20140113898-A1 BISARYLSULFONE AND DIALKYLARYLSULFONE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (US) 2014-04-24 — — US disclosed
US-20140113898-A1 BISARYLSULFONE AND DIALKYLARYLSULFONE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (US) 2014-04-24 — — US disclosed
WO-2012061926-A1 BISARYLSULFONE AND DIALKYLARYLSULFONE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-05-18 — — WO disclosed
WO-2012061926-A1 BISARYLSULFONE AND DIALKYLARYLSULFONE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-05-18 — — WO 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-20140113898-A1 BISARYLSULFONE AND DIALKYLARYLSULFONE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1S, KCNN4 ELANE 4116/4885NAMPT 4652/4885CYP3A4 322/4885

“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.

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