SCHEMBL10476087

SCHEMBL10476087

O=C(O)NCC1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ ELOVL6 Q9H5J4 1/20 0.47
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ MMP1 P03956 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ PTGIR P43119 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ LIPC P11150 1/20 0.44
▸ LIPG Q9Y5X9 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ CACNA1I Q9P0X4 1/20 0.43
▸ GRM5 P41594 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ ELANE P08246 1/20 0.42
▸ FBP1 P09467 1/20 0.42
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL12542202 0.85 LMNA (0.46) POLBTSHRKCNH2GAAKMT2A
SCHEMBL12692955 0.85 RORC (0.53) RORC
SCHEMBL12542199 0.85 LMNA (0.46) POLBTSHRKCNH2GAAKMT2A
SCHEMBL12688703 0.85 LMNA (0.46) POLBTSHRKCNH2GAAKMT2A
SCHEMBL12692945 0.84 TSHR (0.46) POLBELOVL6CA1CA2MMP1
SCHEMBL12542785 0.83 CCR2 (0.43) POLBELOVL6CA1CA2MMP1
SCHEMBL12688584 0.83 CCR2 (0.43) POLBELOVL6CA1CA2MMP1
SCHEMBL1498478 0.82 ELOVL6 (0.49) POLBELOVL6CA1CA2MMP1
SCHEMBL1498462 0.82 ELOVL6 (0.49) POLBELOVL6CA1CA2MMP1
SCHEMBL1498461 0.82 ELOVL6 (0.49) POLBELOVL6CA1CA2MMP1

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
EP-2477963-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Zalicus Pharmaceuticals Ltd. (CA) 2012-07-25 — — EP 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 POLB 4520/4885ELOVL6 3866/4885CA1 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.

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