SCHEMBL15645673

SCHEMBL15645673

O=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)C1CCCCN1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.53
▸ NAMPT P43490 10/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HTR2B P41595 3/20 0.50
▸ HTR6 P50406 1/20 0.49
▸ KDM4E B2RXH2 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
SCHEMBL15646864 1.00 HTR2C (0.53) HTR2CNAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL15645922 1.00 HTR2C (0.53) HTR2CNAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL4538691 0.97 HTR2C (0.56) HTR2CNAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL4538687 0.97 HTR2C (0.56) HTR2CNAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL5019738 0.97 HTR2C (0.56) HTR2CNAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL15646514 0.84 NAMPT (0.48) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL15647266 0.83 NAMPT (0.58) HTR2CNAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL15647661 0.83 NAMPT (0.51) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL15645210 0.83 GID4 (0.48) HTR2CHTR2BHTR6KDM4E
SCHEMBL15646384 0.83 NAMPT (0.51) NAMPTCYP3A4CYP2C9CYP2C19

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 HTR2C 2072/4885NAMPT 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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