SCHEMBL831090

SCHEMBL831090

CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)CC)n2CCC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
CYP2C8 P10632 1/20 0.33
PGR P06401 1/20 0.32
RORA P35398 1/20 0.32
RORC P51449 1/20 0.32
RORB Q92753 1/20 0.32
KMT2A Q03164 1/20 0.31
PTGER4 P35408 3/20 0.31
SCN9A Q15858 2/20 0.30
MAPT P10636 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
SCHEMBL831075 0.93 SCN9A (0.37) KDM4EALDH1A1GAACYP2C8PGR
SCHEMBL831192 0.90 SCN9A (0.35) KDM4EALDH1A1GAACYP2C8PTGER4
SCHEMBL831530 0.83 CYP2C8 (0.43) KDM4EALDH1A1CYP2C8KMT2AMAPT
SCHEMBL831814 0.82 CYP2C8 (0.40) CYP2C8KMT2A
SCHEMBL831172 0.82 SCN9A (0.36) CYP2C8RORCSCN9A
SCHEMBL831182 0.81 CYP2C8 (0.42) KDM4EALDH1A1GAACYP2C8KMT2A
SCHEMBL831907 0.80 SCN9A (0.34) CYP2C8RORCPTGER4SCN9A
SCHEMBL10255747 0.79 CYP2C8 (0.36) KDM4ECYP2C8KMT2AMAPT
SCHEMBL862421 0.79 CYP2C8 (0.38) CYP2C8KMT2AMAPT
SCHEMBL862351 0.77 CYP2C8 (0.43) KDM4EALDH1A1CYP2C8KMT2ASCN9A

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 2 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-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 KDM4E 1061/4885ALDH1A1 1792/4885GAA 3826/4885

“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.