SCHEMBL2297057

SCHEMBL2297057

CC(C)(C)OC(=O)N1CC(CC(=O)NNC(=O)Nc2ccc(Br)cc2F)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.50
FPR2 P25090 4/20 0.43
THRB P10828 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
AAK1 Q2M2I8 1/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NAMPT P43490 1/20 0.39
IDO1 P14902 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL14720195 0.92 USP30 (0.55) USP30FPR2THRBMAPTAAK1
SCHEMBL2298545 0.84 FPR2 (0.54) USP30FPR2MAPTLMNANPC1
SCHEMBL2298365 0.82 THRB (0.44) FPR2THRBMAPTTP53AAK1
SCHEMBL31417758 0.81 USP30 (0.61) USP30MAPTALDH1A1LMNANPC1
SCHEMBL14152092 0.79 THRB (0.52) FPR2THRBMAPTTP53AAK1
SCHEMBL15874475 0.79 THRB (0.52) FPR2THRBMAPTTP53AAK1
SCHEMBL15874474 0.79 THRB (0.52) FPR2THRBMAPTTP53AAK1
SCHEMBL14720196 0.76 HDAC2 (0.46) FPR2THRBMAPTAAK1ALDH1A1
SCHEMBL24362344 0.75 USP30 (0.56) USP30FPR2NAMPTIDO1
SCHEMBL29599473 0.75 USP30 (0.56) USP30FPR2NAMPTIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340529-B2 Triazolones as fatty acid synthase inhibitors GLAXOSMITHKLINE LLC (US) 2016-05-17 US disclosed
US-8802864-B2 Triazolones as fatty acid synthase inhibitors GLAXOSMITHKLINE LLC (US) 2014-08-12 US disclosed
US-20140100213-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-04-10 US disclosed
EP-2538787-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2013-01-02 EP disclosed
US-20120316151-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-12-13 US disclosed
WO-2011103546-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-08-25 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 (2 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-20140100213-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 USP30 1231/4885FPR2 1091/4885THRB 2070/4885
US-20120316151-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 USP30 1851/4885FPR2 1055/4885THRB 1794/4885

“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.