SCHEMBL708780

SCHEMBL708780

CC(C)Oc1ccc(NC(=O)C2CCCC(OS(C)(=O)=O)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 6/20 0.54
ENPP1 P22413 6/20 0.54
ELOVL6 Q9H5J4 7/20 0.52
ENPP2 Q13822 4/20 0.46
STS P08842 1/20 0.46
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL710396 0.84 ABL1 (0.51) ENPP3ENPP1
SCHEMBL712394 0.83 ELOVL6 (0.52) ENPP3ENPP1ELOVL6ENPP2STS
SCHEMBL13090477 0.79 ENPP3 (0.64) ENPP3ENPP1ELOVL6ENPP2STS
SCHEMBL2853568 0.78 ENPP3 (0.54) ENPP3ENPP1ELOVL6ENPP2TP53
SCHEMBL2846099 0.78 ENPP3 (0.54) ENPP3ENPP1ELOVL6ENPP2TP53
SCHEMBL13135944 0.78 ENPP3 (0.54) ENPP3ENPP1ELOVL6ENPP2TP53
SCHEMBL2846095 0.78 ENPP3 (0.54) ENPP3ENPP1ELOVL6ENPP2TP53
SCHEMBL2847007 0.77 ELOVL6 (0.49) ENPP3ENPP1ELOVL6ENPP2STS
SCHEMBL2847008 0.77 ELOVL6 (0.49) ENPP3ENPP1ELOVL6ENPP2STS
SCHEMBL711630 0.74 TP53 (0.46) ENPP3ENPP1ELOVL6ENPP2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2236494-B1 SULFONYL SUBSTITUTED 6-MEMBERED RING DERIVATIVE MSD KK (JP) 2016-08-31 EP disclosed
EP-2236494-B1 SULFONYL SUBSTITUTED 6-MEMBERED RING DERIVATIVE MSD KK (JP) 2016-08-31 EP disclosed
US-8124807-B2 Sulfonyl-substituted 6-membered ring derivative MSD K.K. (JP) 2012-02-28 US disclosed
US-8124807-B2 Sulfonyl-substituted 6-membered ring derivative MSD K.K. (JP) 2012-02-28 US disclosed
US-8124807-B2 Sulfonyl-substituted 6-membered ring derivative MSD K.K. (JP) 2012-02-28 US disclosed
EP-2236494-A1 SULFONYL SUBSTITUTED 6-MEMBERED RING DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-10-06 EP disclosed
EP-2236494-A1 SULFONYL SUBSTITUTED 6-MEMBERED RING DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-10-06 EP disclosed
US-20100249147-A1 SULFONYL-SUBSTITUTED 6-MEMBERED RING DERIVATIVE MSD K.K. (JP) 2010-09-30 US disclosed
US-20100249147-A1 SULFONYL-SUBSTITUTED 6-MEMBERED RING DERIVATIVE MSD K.K. (JP) 2010-09-30 US disclosed
US-20100249147-A1 SULFONYL-SUBSTITUTED 6-MEMBERED RING DERIVATIVE MSD K.K. (JP) 2010-09-30 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-20100249147-A1 SULFONYL-SUBSTITUTED 6-MEMBERED RING DERIVATIVE CHRM2, CHRM3, CHRM1 ENPP3 3366/4885ENPP1 4235/4885ELOVL6 3399/4885

“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.