SCHEMBL12693067

SCHEMBL12693067

O=C(NC[C@H]1C[C@H](S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)C1)c1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CYP2J2 P51589 1/20 0.47
▸ GABRA5 P31644 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL12543377 0.89 EPHX2 (0.46) EPHX2CYP2C9CYP2C19CYP2J2GABRA5
SCHEMBL12543378 0.89 EPHX2 (0.46) EPHX2CYP2C9CYP2C19CYP2J2GABRA5
SCHEMBL12693149 0.88 PIK3CA (0.42) GABRA5KCNH2
SCHEMBL12693160 0.85 ELOVL6 (0.43) KCNH2
SCHEMBL12693189 0.85 PIK3CA (0.41) KCNH2
SCHEMBL12693188 0.83 EPHX2 (0.53) EPHX2CYP2C9CYP2C19CYP2J2GABRA5
SCHEMBL12693087 0.81 EPHX2 (0.44) EPHX2CYP2C9CYP2C19CYP2J2GABRA5
SCHEMBL12541958 0.81 CXCR3 (0.47) EPHX2KCNH2
SCHEMBL12541960 0.81 CXCR3 (0.47) EPHX2KCNH2
SCHEMBL12543554 0.80 KCNH2 (0.43) KCNH2

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 1 patent. 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

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 EPHX2 4370/4885CYP2C9 1022/4885CYP2C19 930/4885

“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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