SCHEMBL14830537

SCHEMBL14830537

NS(=O)(=O)c1ccc(-c2cccc(B(O)O)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.68
CA9 Q16790 17/20 0.68
CA12 O43570 13/20 0.68
CA1 P00915 15/20 0.60
MGLL Q99685 1/20 0.59
CA14 Q9ULX7 4/20 0.47
PLG P00747 1/20 0.46
F12 P00748 1/20 0.46
F11 P03951 1/20 0.46
KLKB1 P03952 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46

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
SCHEMBL585145 0.82 CA2 (0.64) CA2CA9CA12CA1MGLL
SCHEMBL29955889 0.82 CA2 (0.64) CA2CA9CA12CA1MGLL
SCHEMBL2846622 0.78 MGLL (0.79) CA2CA1MGLLCA14PLG
SCHEMBL14653454 0.78 MGLL (0.95) CA2CA1MGLLCA14PLG
SCHEMBL12619984 0.78 MGLL (0.86) CA2CA1MGLLCA14PLG
SCHEMBL30712840 0.78 MGLL (0.86) CA2CA1MGLLCA14PLG
SCHEMBL31139484 0.78 MGLL (0.86) CA2CA1MGLLCA14PLG
SCHEMBL6168404 0.77 CA2 (0.75) CA2CA9CA12CA1CA14
SCHEMBL28129527 0.77 CA2 (0.75) CA2CA9CA12CA1CA14
SCHEMBL30786605 0.77 MGLL (0.70) CA2CA1MGLLCA14PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630979-B2 Inhibitors of monoacylglycerol lipase and methods of their use INFINITY PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
US-9630979-B2 Inhibitors of monoacylglycerol lipase and methods of their use INFINITY PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
US-9630979-B2 Inhibitors of monoacylglycerol lipase and methods of their use INFINITY PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
US-20140235580-A1 INHIBITORS OF MONOACYLGLYCEROL LIPASE AND METHODS OF THEIR USE INFINITY PHARMACEUTICALS, INC. 2014-08-21 US disclosed
US-20140235580-A1 INHIBITORS OF MONOACYLGLYCEROL LIPASE AND METHODS OF THEIR USE INFINITY PHARMACEUTICALS, INC. 2014-08-21 US disclosed
US-20140235580-A1 INHIBITORS OF MONOACYLGLYCEROL LIPASE AND METHODS OF THEIR USE INFINITY PHARMACEUTICALS, INC. 2014-08-21 US disclosed
WO-2013049332-A1 INHIBITORS OF MONOACYLGLYCEROL LIPASE AND METHODS OF THEIR USE INFINITY PHARMACEUTICALS, INC. (US) 2013-04-04 WO disclosed
WO-2013049332-A1 INHIBITORS OF MONOACYLGLYCEROL LIPASE AND METHODS OF THEIR USE INFINITY PHARMACEUTICALS, INC. (US) 2013-04-04 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-20140235580-A1 INHIBITORS OF MONOACYLGLYCEROL LIPASE AND METHODS OF THEIR USE MGLL, PNLIP, LIPC CA2 2949/4885CA9 2576/4885CA12 4483/4885

“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.