SCHEMBL15645336

SCHEMBL15645336

CC(C)(N)C(=O)NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 12/20 0.57
▸ CYP3A4 P08684 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ RORC P51449 1/20 0.48
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ BACE1 P56817 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ RAB9A P51151 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
SCHEMBL15646125 0.88 NAMPT (0.55) NAMPTCYP3A4CYP2C19CYP2C9RORC
SCHEMBL15647056 0.83 NAMPT (0.58) NAMPTCYP3A4CYP2C19CYP2C9RORC
SCHEMBL15647080 0.81 NAMPT (0.56) NAMPTCYP3A4CYP2C19CYP2C9RORC
SCHEMBL4542561 0.80 ELANE (0.57) NAMPTCYP3A4CYP2C19CYP2C9LMNA
SCHEMBL15646405 0.80 NAMPT (0.51) NAMPTCYP3A4CYP2C19CYP2C9LMNA
SCHEMBL15646494 0.79 NAMPT (0.55) NAMPTCYP3A4CYP2C19CYP2C9RORC
SCHEMBL15645903 0.79 CYP3A4 (0.52) NAMPTCYP3A4CYP2C19CYP2C9RORC
SCHEMBL5019748 0.78 NAMPT (0.54) NAMPTCYP3A4CYP2C19CYP2C9LMNA
SCHEMBL15647583 0.78 NAMPT (0.54) NAMPTCYP3A4CYP2C19CYP2C9LMNA
SCHEMBL4561812 0.78 NAMPT (0.54) NAMPTCYP3A4CYP2C19CYP2C9LMNA

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 322/4885CYP2C19 357/4885

“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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