SCHEMBL14830589

SCHEMBL14830589

CC(=O)NCc1ccc(-c2cccc(B(O)O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.53
MGLL Q99685 1/20 0.51
HDAC1 Q13547 4/20 0.50
LIPG Q9Y5X9 2/20 0.48
SYK P43405 1/20 0.47
KMT2A Q03164 2/20 0.46
HDAC3 O15379 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL955708 0.83 ENPP2 (0.53) HDAC1LIPGKMT2AHDAC3HDAC2
SCHEMBL3519181 0.82 HDAC1 (0.56) TRPV1MGLLHDAC1HDAC6
SCHEMBL101621 0.80 KMT2A (0.59) TRPV1HDAC1LIPGKMT2AHDAC3
SCHEMBL5801663 0.80 KMT2A (0.65) TRPV1HDAC1KMT2AHDAC3HDAC2
SCHEMBL14830139 0.79 MGLL (0.50) TRPV1MGLLLIPGKMT2AKDM4E
SCHEMBL31416639 0.78 SMN1; SMN2 (0.59) TRPV1MGLLHDAC1KMT2ARAB9A
SCHEMBL15962127 0.78 SMN1; SMN2 (0.59) TRPV1MGLLHDAC1KMT2ARAB9A
SCHEMBL23451000 0.77 LIPG (0.54) HDAC1LIPGSYKKMT2AHDAC3
SCHEMBL3792599 0.77 MGLL (0.63) MGLLLIPGKDM4EALDH1A1
SCHEMBL25542634 0.77 LIPG (0.56) HDAC1LIPGSYKHDAC3HDAC2

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 TRPV1 3765/4885MGLL 1/4885HDAC1 578/4885

“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.