SCHEMBL711630

SCHEMBL711630

CC(C)Oc1ccc(NC(=O)C2CCCC(Sc3ccccc3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
ELOVL6 Q9H5J4 7/20 0.46
ENPP3 O14638 4/20 0.44
ENPP1 P22413 4/20 0.44
ENPP2 Q13822 2/20 0.43
HPGD P15428 1/20 0.43
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
PNLIP P16233 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
SCHEMBL2842200 0.85 ABL1 (0.49) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2842199 0.85 ABL1 (0.49) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2853508 0.85 ELOVL6 (0.47) TP53MEN1ALDH1A1LMNAGAA
SCHEMBL2853507 0.85 ELOVL6 (0.47) TP53MEN1ALDH1A1LMNAGAA
SCHEMBL712394 0.79 ELOVL6 (0.52) TP53MEN1ALDH1A1LMNAGAA
SCHEMBL2853568 0.78 ENPP3 (0.54) TP53MEN1ALDH1A1LMNAGAA
SCHEMBL13135944 0.78 ENPP3 (0.54) TP53MEN1ALDH1A1LMNAGAA
SCHEMBL2846099 0.78 ENPP3 (0.54) TP53MEN1ALDH1A1LMNAGAA
SCHEMBL2846095 0.78 ENPP3 (0.54) TP53MEN1ALDH1A1LMNAGAA
SCHEMBL13090477 0.78 ENPP3 (0.64) LMNAELOVL6ENPP3ENPP1ENPP2

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 4 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
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 3099/4885MEN1 150/4885ALDH1A1 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.