SCHEMBL710497

SCHEMBL710497

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.54
ELOVL6 Q9H5J4 2/20 0.51
ALDH1A1 P00352 4/20 0.49
GLA P06280 2/20 0.49
ENPP3 O14638 3/20 0.47
ENPP1 P22413 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
ENPP2 Q13822 2/20 0.45
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
STS P08842 1/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL13090477 0.84 ENPP3 (0.64) ELOVL6GLAENPP3ENPP1SMN1; SMN2
SCHEMBL712394 0.79 ELOVL6 (0.52) TP53ELOVL6ALDH1A1GLAENPP3
SCHEMBL708780 0.73 ENPP3 (0.54) TP53ELOVL6GLAENPP3ENPP1
SCHEMBL711630 0.71 TP53 (0.46) TP53ELOVL6ALDH1A1GLAENPP3
SCHEMBL2853568 0.71 ENPP3 (0.54) TP53ELOVL6ALDH1A1ENPP3ENPP1
SCHEMBL2846099 0.71 ENPP3 (0.54) TP53ELOVL6ALDH1A1ENPP3ENPP1
SCHEMBL13135944 0.71 ENPP3 (0.54) TP53ELOVL6ALDH1A1ENPP3ENPP1
SCHEMBL2846095 0.71 ENPP3 (0.54) TP53ELOVL6ALDH1A1ENPP3ENPP1
SCHEMBL2847007 0.70 ELOVL6 (0.49) TP53ELOVL6ALDH1A1ENPP3ENPP1
SCHEMBL2847008 0.70 ELOVL6 (0.49) TP53ELOVL6ALDH1A1ENPP3ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TP53 3099/4885ELOVL6 3399/4885ALDH1A1 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.