SCHEMBL579579

SCHEMBL579579

CC(C)(C)OC(=O)n1c(B(O)O)cc2ccc(C3CC3)cc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.37
GPR119 Q8TDV5 2/20 0.36
NAMPT P43490 1/20 0.36
NR1H2 P55055 11/20 0.36
NR1H3 Q13133 2/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
USP30 Q70CQ3 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL29955923 0.81 NR1H2 (0.43) GPR119NR1H2NR1H3CA12CA9
SCHEMBL594086 0.81 NR1H2 (0.43) GPR119NR1H2NR1H3CA12CA9
SCHEMBL513618 0.80 NR1H2 (0.38) NR1H2NR1H3CA12CA9
SCHEMBL29951847 0.80 NR1H2 (0.38) NR1H2NR1H3CA12CA9
SCHEMBL15727386 0.80 USP30 (0.43) NR1H2NR1H3CA12CA9USP30
SCHEMBL1605189 0.80 NR1H2 (0.38) NR1H2NR1H3CA12CA9
SCHEMBL31601069 0.80 NR1H2 (0.38) NR1H2NR1H3CA12CA9
SCHEMBL20494885 0.80 NR1H2 (0.40) PDE4BGPR119NAMPTNR1H2NR1H3
SCHEMBL30071144 0.80 NR1H2 (0.40) PDE4BGPR119NAMPTNR1H2NR1H3
SCHEMBL513258 0.79 NR1H2 (0.45) NR1H2NR1H3CA12CA9KDM4E

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-8735414-B2 Indole derivatives and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2014-05-27 US disclosed
US-8735414-B2 Indole derivatives and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2014-05-27 US disclosed
CN-102695704-A Indole derivatives and methods for antiviral treatment PTC THERAPEUTICS INC 2012-09-26 CN disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
EP-2417122-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC Therapeutics, Inc. (US) 2012-02-15 EP disclosed
WO-2010117932-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 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-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT IDO1, IRF3, MAVS PDE4B 978/4885GPR119 539/4885NAMPT 865/4885

“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.