SCHEMBL1498296

SCHEMBL1498296

CC(C)(C)N(C(=O)O)[C@H]1CC[C@H](S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ELOVL6 Q9H5J4 1/20 0.44
▸ CACNA1B Q00975 12/20 0.44
▸ NR1I2 O75469 5/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ CNR1 P21554 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
SCHEMBL12541451 0.89 ELOVL6 (0.47) ELOVL6CACNA1BNR1I2NPSR1CYP3A4
SCHEMBL12541453 0.89 ELOVL6 (0.47) ELOVL6CACNA1BNR1I2NPSR1CYP3A4
SCHEMBL10476090 0.86 ELOVL6 (0.46) ELOVL6CACNA1BNR1I2NPSR1CYP3A4
SCHEMBL1498439 0.83 CACNA1B (0.49) CACNA1BNR1I2NPSR1CYP3A4POLB
SCHEMBL1498442 0.83 CACNA1B (0.49) CACNA1BNR1I2NPSR1CYP3A4POLB
SCHEMBL1498403 0.82 POLB (0.43) ELOVL6CACNA1BNR1I2NPSR1CYP3A4
SCHEMBL12543113 0.79 GAA (0.43) ELOVL6CACNA1BNR1I2NPSR1CYP3A4
SCHEMBL1498496 0.79 HTR6 (0.44) ELOVL6CACNA1BNR1I2CYP3A4CA1
SCHEMBL1498584 0.79 CA1 (0.51) ELOVL6NPSR1CA1CA2MMP1
SCHEMBL27896516 0.79 CA1 (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 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 3866/4885CACNA1B 6/4885NR1I2 805/4885

“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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