SCHEMBL2852313

SCHEMBL2852313

CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[C@@H](S(=O)(=O)c3ccccn3)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELOVL6 Q9H5J4 10/20 0.56
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ADRB2 P07550 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ELOVL3 Q9HB03 2/20 0.43
ENPP3 O14638 4/20 0.42
ENPP1 P22413 4/20 0.42
NPC1 O15118 1/20 0.42
ENPP2 Q13822 2/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2852312 1.00 ELOVL6 (0.56) ELOVL6RAB9AALDH1A1ADRB2HSD17B10
SCHEMBL2847007 0.90 ELOVL6 (0.49) ELOVL6RAB9AALDH1A1ADRB2HSD17B10
SCHEMBL2847008 0.90 ELOVL6 (0.49) ELOVL6RAB9AALDH1A1ADRB2HSD17B10
SCHEMBL711474 0.88 ABL1 (0.46) ELOVL6RAB9AALDH1A1ADRB2HSD17B10
SCHEMBL2851423 0.88 ABL1 (0.46) ELOVL6RAB9AALDH1A1ADRB2HSD17B10
SCHEMBL2846099 0.85 ENPP3 (0.54) ELOVL6ALDH1A1ENPP3ENPP1ENPP2
SCHEMBL13135944 0.85 ENPP3 (0.54) ELOVL6ALDH1A1ENPP3ENPP1ENPP2
SCHEMBL2846095 0.85 ENPP3 (0.54) ELOVL6ALDH1A1ENPP3ENPP1ENPP2
SCHEMBL2853568 0.85 ENPP3 (0.54) ELOVL6ALDH1A1ENPP3ENPP1ENPP2
SCHEMBL2847593 0.82 ELOVL6 (0.45) ELOVL6RAB9AALDH1A1ADRB2HSD17B10

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 7 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
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
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 ELOVL6 3399/4885RAB9A 2414/4885ALDH1A1 1423/4885

“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.