SCHEMBL14830561

SCHEMBL14830561

NC(=O)c1ccc(-c2ccc(F)c(B(O)O)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.54
MKNK1 Q9BUB5 6/20 0.45
MKNK2 Q9HBH9 6/20 0.45
MAP4K4 O95819 3/20 0.44
AR P10275 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ACLY P53396 1/20 0.42
CHEK2 O96017 1/20 0.42
BRD4 O60885 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
MYC P01106 1/20 0.41
GSK3B P49841 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
PARP1 P09874 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
SCHEMBL973928 0.86 PARP1 (0.50) ERN1ARCA1CA2BRD4
SCHEMBL15962141 0.85 KIF11 (0.55) ERN1
SCHEMBL34465392 0.77 MGLL (0.48) CA1CA2ACLY
SCHEMBL12607544 0.77 ERN1 (0.75) ERN1MKNK1MKNK2MAP4K4
SCHEMBL8297932 0.76 MAP4K4 (0.54) ERN1MKNK1MKNK2MAP4K4CA12
SCHEMBL29954222 0.75 PARP1 (0.50) ERN1ARCA1CA2BRD4
SCHEMBL10195681 0.75 PARP1 (0.50) ERN1ARCA1CA2BRD4
SCHEMBL14830590 0.74 ERN1 (0.48) ERN1MKNK1MKNK2MAP4K4AR
SCHEMBL30958375 0.74 CHEK2 (0.67) MKNK1MKNK2MAP4K4CHEK2PARP1
SCHEMBL15547657 0.74 CHEK2 (0.67) MKNK1MKNK2MAP4K4CHEK2PARP1

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 ERN1 1582/4885MKNK1 1098/4885MKNK2 1196/4885

“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.