SCHEMBL1498462

SCHEMBL1498462

O=C(O)NC1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL6 Q9H5J4 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CCR6 P51684 2/20 0.46
SMYD3 Q9H7B4 1/20 0.46
EPHX2 P34913 1/20 0.45
CCR2 P41597 4/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 2/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL1498478 1.00 ELOVL6 (0.49) ELOVL6NPSR1CA1CA2MMP1
SCHEMBL1498461 1.00 ELOVL6 (0.49) ELOVL6NPSR1CA1CA2MMP1
SCHEMBL1498485 0.89 ELOVL6 (0.53) ELOVL6NPSR1CA1CA2MMP1
SCHEMBL1498484 0.89 ELOVL6 (0.53) ELOVL6NPSR1CA1CA2MMP1
SCHEMBL12543212 0.85 SMYD3 (0.55) ELOVL6NPSR1CA1CA2MMP1
SCHEMBL12688377 0.84 RORC (0.47)
SCHEMBL12688439 0.84 RORC (0.47)
SCHEMBL12543002 0.84 LMNA (0.48) ELOVL6NPSR1CA1CA2MMP1
SCHEMBL1498297 0.84 RORC (0.47)
SCHEMBL12688535 0.84 LMNA (0.48) ELOVL6NPSR1CA1CA2MMP1

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-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-09-27 US disclosed
EP-2477963-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Zalicus Pharmaceuticals Ltd. (CA) 2012-07-25 EP 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 3866/4885NPSR1 491/4885CA1 966/4885

“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.