SCHEMBL10391

SCHEMBL10391

CN(C)S(=O)(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
CA12 O43570 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
HPGD P15428 6/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
BRD4 O60885 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL393567 0.84 CA1 (0.50) HTTCA1CA2CA9CA12
SCHEMBL31438926 0.84 CA1 (0.50) HTTCA1CA2CA9CA12
SCHEMBL2415277 0.82 CA1 (0.68) HTTCA1CA2CA9CA12
SCHEMBL16238072 0.82 LPL (0.48) HTTCA1CA2CA9CA12
SCHEMBL488684 0.81 CA1 (0.42) CA1CA2CA9CA12CA3
SCHEMBL14719219 0.81 CA1 (0.47) CA1CA2CA9CA12CA3
SCHEMBL17160118 0.80 CA2 (0.49) CA1CA2CA9CA12CA3
SCHEMBL11894843 0.80 HTR6 (0.51) CA1CA2CA9CA12CA3
SCHEMBL1075440 0.78 OPRM1 (0.46) CA1CA2CA9CA12CA3
SCHEMBL2508131 0.78 LPL (0.48) CA1CA2CA9CA12CA3

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
US-9115141-B2 Substituted isoquinolinones and methods of treatment thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
EP-2663311-A2 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2013-11-20 EP disclosed
EP-2493310-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-09-05 EP disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
WO-2012096928-A2 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-07-19 WO disclosed
WO-2011056635-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO 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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 HTT 4048/4885CA1 4410/4885CA2 3213/4885

“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.