SCHEMBL710396

SCHEMBL710396

CC(C)Oc1ccc(NC(=O)C2CCCC(OS(C)(=O)=O)C2)nc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.51
DEGS1 O15121 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ENPP3 O14638 1/20 0.44
ENPP1 P22413 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
SCHEMBL708780 0.84 ENPP3 (0.54) ENPP3ENPP1
SCHEMBL13090478 0.83 ABL1 (0.64) ABL1DEGS1MEN1KMT2AENPP3
SCHEMBL2851400 0.80 ABL1 (0.52) ABL1DEGS1MEN1KMT2A
SCHEMBL710662 0.80 ABL1 (0.52) ABL1DEGS1MEN1KMT2A
SCHEMBL2852234 0.80 ABL1 (0.48) ABL1DEGS1MEN1KMT2AENPP3
SCHEMBL2852237 0.80 ABL1 (0.48) ABL1DEGS1MEN1KMT2AENPP3
SCHEMBL2849781 0.79 ABL1 (0.48) ABL1DEGS1MEN1KMT2A
SCHEMBL2849782 0.79 ABL1 (0.48) ABL1DEGS1MEN1KMT2A
SCHEMBL2846084 0.78 ELOVL6 (0.49) ABL1DEGS1MEN1KMT2AENPP3
SCHEMBL2846083 0.78 ELOVL6 (0.49) ABL1DEGS1MEN1KMT2AENPP3

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 ABL1 3478/4885DEGS1 933/4885MEN1 150/4885

“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.