SCHEMBL2853568

SCHEMBL2853568

CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[C@@H](S(=O)(=O)c3ccccc3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 5/20 0.54
ENPP1 P22413 5/20 0.54
ELOVL6 Q9H5J4 10/20 0.53
ENPP2 Q13822 3/20 0.53
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2846099 1.00 ENPP3 (0.54) ENPP3ENPP1ELOVL6ENPP2MEN1
SCHEMBL2846095 1.00 ENPP3 (0.54) ENPP3ENPP1ELOVL6ENPP2MEN1
SCHEMBL13135944 1.00 ENPP3 (0.54) ENPP3ENPP1ELOVL6ENPP2MEN1
SCHEMBL2847007 0.87 ELOVL6 (0.49) ENPP3ENPP1ELOVL6ENPP2ALDH1A1
SCHEMBL2847008 0.87 ELOVL6 (0.49) ENPP3ENPP1ELOVL6ENPP2ALDH1A1
SCHEMBL2852234 0.85 ABL1 (0.48) ENPP3ENPP1ELOVL6ENPP2MEN1
SCHEMBL2852237 0.85 ABL1 (0.48) ENPP3ENPP1ELOVL6ENPP2MEN1
SCHEMBL2852312 0.85 ELOVL6 (0.56) ENPP3ENPP1ELOVL6ENPP2ALDH1A1
SCHEMBL2852313 0.85 ELOVL6 (0.56) ENPP3ENPP1ELOVL6ENPP2ALDH1A1
SCHEMBL2847884 0.81 ELOVL6 (0.45) 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 6 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
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

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.