SCHEMBL5019748

SCHEMBL5019748

N[C@H](C(=O)NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 11/20 0.54
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ POLB P06746 1/20 0.48
▸ TACR1 P25103 1/20 0.48
▸ LMNA P02545 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SLC1A3 P43003 1/20 0.45
▸ SLC1A2 P43004 1/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL15647583 1.00 NAMPT (0.54) NAMPTCYP3A4CYP2C9CYP2C19POLB
SCHEMBL15645336 0.78 NAMPT (0.57) NAMPTCYP3A4CYP2C9CYP2C19POLB
SCHEMBL15647056 0.78 NAMPT (0.58) NAMPTCYP3A4CYP2C9CYP2C19LMNA
SCHEMBL15646478 0.77 SLC1A3 (0.45) CYP3A4CYP2C9CYP2C19POLBTACR1
SCHEMBL15681449 0.77 SLC1A3 (0.45) CYP3A4CYP2C9CYP2C19POLBTACR1
SCHEMBL15647080 0.77 NAMPT (0.56) NAMPTCYP3A4CYP2C9CYP2C19LMNA
SCHEMBL19465696 0.77 TACR1 (0.54) CYP3A4TACR1MAPTKMT2AMEN1
SCHEMBL15646494 0.76 NAMPT (0.55) NAMPTCYP3A4CYP2C9CYP2C19LMNA
SCHEMBL15646125 0.75 NAMPT (0.55) NAMPTCYP3A4CYP2C9CYP2C19POLB
Hydrochloric Acid SCHEMBL21995166 0.75 KMT2A (0.58) CYP2C9CYP2C19POLBKMT2AMEN1

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.

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