SCHEMBL14830446

SCHEMBL14830446

CS(=O)(=O)Nc1ccc(-c2cccc(B(O)O)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.55
HSD17B2 P37059 1/20 0.55
MGLL Q99685 1/20 0.54
PIP4K2A P48426 1/20 0.51
PIP4K2B P78356 1/20 0.51
KIF11 P52732 6/20 0.50
KDM1A O60341 1/20 0.46
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
BRD4 O60885 1/20 0.45
MAPK10 P53779 1/20 0.44
KEAP1 Q14145 1/20 0.44
TDP2 O95551 3/20 0.44
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44
DAPK3 O43293 1/20 0.44
DYRK3 O43781 1/20 0.44
JAK2 O60674 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKD3 O94806 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
SCHEMBL173028 0.82 ALDH1A1 (0.56) HSD17B1HSD17B2KIF11BRD4KEAP1
SCHEMBL15962143 0.81 KIF11 (0.49) HSD17B1HSD17B2PIP4K2APIP4K2BKIF11
SCHEMBL18427042 0.80 KEAP1 (0.64) HSD17B1HSD17B2PIP4K2APIP4K2BKIF11
SCHEMBL14830139 0.78 MGLL (0.50) MGLLBRD4
SCHEMBL131626 0.78 ENPP2 (0.55) KIF11KEAP1PTGS2
SCHEMBL5426884 0.78 HSD17B1 (0.56) HSD17B1HSD17B2PIP4K2APIP4K2BKIF11
SCHEMBL31416639 0.77 SMN1; SMN2 (0.59) HSD17B1HSD17B2MGLLPIP4K2APIP4K2B
SCHEMBL15962127 0.77 SMN1; SMN2 (0.59) HSD17B1HSD17B2MGLLPIP4K2APIP4K2B
SCHEMBL15962148 0.77 MAPK14 (0.47) HSD17B1HSD17B2KIF11KDM1AIKBKB
SCHEMBL5426878 0.76 HSD17B1 (0.55) HSD17B1HSD17B2PIP4K2APIP4K2BKIF11

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 7 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

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 HSD17B1 435/4885HSD17B2 542/4885MGLL 1/4885

“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.