SCHEMBL831333

SCHEMBL831333

O=C(NS(=O)(=O)CC(F)(F)F)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
CYP2C8 P10632 1/20 0.40
PPARG P37231 6/20 0.37
ECE1 P42892 1/20 0.36
EPHX2 P34913 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
DDR1 Q08345 1/20 0.33
MEN1 O00255 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL830972 0.93 CYP2C8 (0.42) KMT2ACYP2C8PPARGECE1EPHX2
SCHEMBL831139 0.92 CYP2C8 (0.40) KMT2ACYP2C8PPARGECE1EPHX2
SCHEMBL831415 0.91 PPARG (0.46) KMT2ACYP2C8PPARGECE1EPHX2
SCHEMBL831141 0.89 PPARG (0.41) KMT2ACYP2C8PPARGECE1EPHX2
SCHEMBL832679 0.89 CYP2C8 (0.39) KMT2ACYP2C8PPARGECE1EPHX2
SCHEMBL832547 0.89 CYP2C8 (0.41) KMT2ACYP2C8PPARGECE1EPHX2
SCHEMBL831591 0.88 CYP2C8 (0.39) KMT2ACYP2C8PPARGECE1EPHX2
SCHEMBL831050 0.88 SCN9A (0.41) KMT2ACYP2C8PPARGECE1EPHX2
SCHEMBL831752 0.88 CYP2C8 (0.40) KMT2ACYP2C8PPARGECE1EPHX2
SCHEMBL831917 0.88 CYP2C8 (0.40) KMT2ACYP2C8PPARGECE1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US 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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 KMT2A 321/4885CYP2C8 847/4885PPARG 4093/4885

“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.