SCHEMBL3348070

SCHEMBL3348070

CC(C)(O)C(C)(C)OB(O)c1ccc(NC(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.45
PEPD P12955 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GLA P06280 1/20 0.42
NPC1 O15118 1/20 0.41
TRPV1 Q8NER1 3/20 0.40
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1016475 0.87 SMN1; SMN2 (0.45) ALDH1A1NPC1TRPV1MAPTMEN1
SCHEMBL2370528 0.84 TRPV1 (0.46) ALDH1A1NPC1TRPV1MAPTMEN1
SCHEMBL1991350 0.83 CYP17A1 (0.43) TRPV1
SCHEMBL443381 0.81 TRPV1 (0.44) NPC1TRPV1GAAMEN1KMT2A
SCHEMBL1832033 0.80 PARP10 (0.41) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL2369624 0.80 EPHX1 (0.50) ALDH1A1NPC1
SCHEMBL6610808 0.80 CYP17A1 (0.49)
SCHEMBL3519257 0.80 TRPV1 (0.32) KIF11ALDH1A1TRPV1HSD17B10
SCHEMBL2369397 0.79 KMT2A (0.51) ALDH1A1NPC1TRPV1MAPTMEN1
SCHEMBL1832517 0.78 EPHX1 (0.57) ALDH1A1NPC1GAAMEN1KMT2A

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 5 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-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-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 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 KIF11 2691/4885PEPD 292/4885ALDH1A1 1858/4885

“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.