SCHEMBL5019736

SCHEMBL5019736

O=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1cnc(C(F)(F)F)nc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 17/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2C19 P33261 1/20 0.73
LMNA P02545 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL15646383 0.93 NAMPT (0.63) NAMPTCYP3A4CYP2C9CYP2C19LMNA
SCHEMBL15647525 0.90 NAMPT (0.73) NAMPTCYP3A4CYP2C9CYP2C19LMNA
SCHEMBL5019731 0.88 NAMPT (0.74) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL15646326 0.86 NAMPT (0.58) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL15645467 0.84 NAMPT (0.68) NAMPTCYP3A4CYP2C9CYP2C19LMNA
SCHEMBL174048 0.84 NAMPT (1.00) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL29478197 0.84 NAMPT (1.00) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL29478199 0.84 NAMPT (1.00) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL15646104 0.84 NAMPT (0.53) NAMPTCYP3A4CYP2C9CYP2C19LMNA
SCHEMBL15648419 0.83 NAMPT (0.65) NAMPTCYP3A4CYP2C9CYP2C19LMNA

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 4 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

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.