SCHEMBL5019840

SCHEMBL5019840

CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)NCc1cccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 2/20 0.59
▸ KCNQ2 O43526 2/20 0.59
▸ ELANE P08246 2/20 0.51
▸ DDR1 Q08345 1/20 0.50
▸ MLYCD O95822 1/20 0.50
▸ CACNA1B Q00975 2/20 0.49
▸ NR1I2 O75469 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NAMPT P43490 5/20 0.49
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL4542561 0.93 ELANE (0.57) KCNQ3KCNQ2ELANEDDR1CACNA1B
SCHEMBL15646824 0.86 DDR1 (0.53) KCNQ3KCNQ2ELANEDDR1CACNA1B
SCHEMBL4561812 0.85 NAMPT (0.54) KCNQ3KCNQ2ELANELMNANAMPT
SCHEMBL15645501 0.84 NAMPT (0.62) ELANENAMPT
SCHEMBL15645900 0.84 KCNQ3 (0.53) KCNQ3KCNQ2ELANELMNARAB9A
SCHEMBL15645656 0.84 NAMPT (0.51) KCNQ3KCNQ2ELANEDDR1MLYCD
SCHEMBL12544638 0.82 CACNA1B (0.49) KCNQ3KCNQ2ELANEDDR1CACNA1B
SCHEMBL12543133 0.80 CACNA1B (0.48) KCNQ3KCNQ2ELANEDDR1CACNA1B
SCHEMBL15646405 0.78 NAMPT (0.51) KCNQ3KCNQ2MLYCDLMNARAB9A
SCHEMBL15647566 0.78 NAMPT (0.54) KCNQ3KCNQ2DDR1MLYCDLMNA

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 KCNQ3 97/4885KCNQ2 71/4885ELANE 4116/4885

“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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