SCHEMBL539849

SCHEMBL539849

CC(C)(O)C(C)(C)OB(O)c1ccc(F)cc1C#N

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.35
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
NR3C1 P04150 3/20 0.31
PGR P06401 3/20 0.31
NR3C2 P08235 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL2722151 0.89 AR (0.35) ARNR3C1PGRNR3C2CYP1A2
SCHEMBL1806496 0.81 CES2 (0.31)
SCHEMBL6312251 0.80
SCHEMBL840344 0.80 TSHR (0.35) AR
SCHEMBL16720954 0.78 NR3C1 (0.35) ARNR3C1PGRNR3C2
SCHEMBL29951411 0.77 TRPV4 (0.34) ARCYP1A2CYP2C9CYP2C19
SCHEMBL385455 0.77 TRPV4 (0.34) ARCYP1A2CYP2C9CYP2C19
SCHEMBL830482 0.77
SCHEMBL433113 0.75 PLA2G7 (0.34) ARNR3C1PGR
SCHEMBL17099864 0.75 LATS1 (0.33) GABRA1GABRG2GABRB3GABRA2GABRA5

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
EP-3145935-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS DAG-LIPASE INHIBITORS Universiteit Leiden (NL) 2017-03-29 EP disclosed
WO-2016188972-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS DAG-LIPASE INHIBITORS UNIVERSITEIT LEIDEN (NL) 2016-12-01 WO disclosed
US-8273770-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-25 US disclosed
EP-2176251-B1 5-pyridinone substituted indazoles and pharmaceutical compositions thereof ALBANY MOLECULAR RES INC (US) 2012-02-08 EP disclosed
EP-2176251-A2 5-PYRIDINONE SUBSTITUTED INDAZOLES Albany Molecular Research, Inc. (US) 2010-04-21 EP disclosed
US-20090082359-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES AMR TECHNOLOGY, INC. (US) 2009-03-26 US disclosed
WO-2009015037-A2 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-01-29 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-20090082359-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES CYP3A5, PNPO, NDUFS3 AR 3296/4885GABRA1 2095/4885GABRG2 2423/4885

“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.