SCHEMBL12692965

SCHEMBL12692965

O=S(=O)(c1cc(F)cc(C(F)(F)F)c1)[C@H]1C[C@H](CO)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ELOVL6 Q9H5J4 5/20 0.35
▸ RIPK1 Q13546 2/20 0.35
▸ CNR1 P21554 3/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ NAMPT P43490 2/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ GPBAR1 Q8TDU6 2/20 0.31
▸ DDR1 Q08345 1/20 0.31
▸ FFAR1 O14842 1/20 0.31

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
SCHEMBL12692907 0.86 HTR2C (0.33) ELOVL6FFAR4RORCNAMPTRXRA
SCHEMBL1498401 0.81 CA1 (0.49) ELOVL6CNR1
SCHEMBL12688468 0.81 CA1 (0.49) ELOVL6CNR1
SCHEMBL12688481 0.81 CA1 (0.49) ELOVL6CNR1
SCHEMBL12688433 0.80 TRPA1 (0.41) RIPK1FFAR4NAMPT
SCHEMBL12693160 0.79 ELOVL6 (0.43) ELOVL6KCNH2NAMPTDDR1
SCHEMBL12692950 0.76 MAPT (0.39) ELOVL6CNR1RORCGPBAR1
SCHEMBL12541769 0.75 CACNA1H (0.49) KCNH2DDR1
SCHEMBL12541771 0.75 CACNA1H (0.49) KCNH2DDR1
SCHEMBL12693189 0.75 PIK3CA (0.41) KCNH2DDR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-09-27 — — US disclosed
WO-2011035159-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2011-03-24 — — 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-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1A ELOVL6 3866/4885RIPK1 3438/4885CNR1 336/4885

“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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