SCHEMBL15645656

SCHEMBL15645656

CS(=O)(=O)c1cc(C(F)(F)F)cnc1C(=O)NCc1cccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 13/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KCNQ3 O43525 2/20 0.49
▸ KCNQ2 O43526 2/20 0.49
▸ DDR1 Q08345 1/20 0.47
▸ MLYCD O95822 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ELANE P08246 1/20 0.45

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
SCHEMBL15647175 0.93 NAMPT (0.60) NAMPTCYP3A4CYP2C9CYP2C19DDR1
SCHEMBL5019744 0.90 NAMPT (0.49) NAMPTCYP3A4CYP2C9CYP2C19KCNQ3
SCHEMBL5019732 0.88 NAMPT (0.61) NAMPTCYP3A4CYP2C9CYP2C19ELANE
SCHEMBL5019846 0.88 NAMPT (0.49) NAMPTCYP3A4CYP2C9CYP2C19DDR1
SCHEMBL15647268 0.87 DDR1 (0.50) NAMPTCYP3A4CYP2C9CYP2C19DDR1
SCHEMBL5019840 0.84 KCNQ3 (0.59) NAMPTCYP3A4CYP2C9CYP2C19KCNQ3
SCHEMBL15645757 0.83 NAMPT (0.57) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL15646386 0.83 CFTR (0.46) NAMPTCYP3A4CYP2C9CYP2C19DDR1
SCHEMBL15681450 0.82 DDR1 (0.43) NAMPTCYP3A4CYP2C9CYP2C19DDR1
SCHEMBL15646063 0.81 NAMPT (0.55) NAMPTCYP3A4CYP2C9CYP2C19MLYCD

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 3 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

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 NAMPT 4652/4885CYP3A4 322/4885CYP2C9 219/4885

“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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