SCHEMBL831172

SCHEMBL831172

CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2CCC1CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.36
PPARG P37231 1/20 0.35
RORC P51449 5/20 0.34
PARG Q86W56 2/20 0.34
MGAT2 Q10469 1/20 0.33
CYP2C8 P10632 1/20 0.32
BRD4 O60885 2/20 0.32
NR1I2 O75469 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP3A4 P08684 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
SCHEMBL831907 0.92 SCN9A (0.34) SCN9ARORCPARGMGAT2CYP2C8
SCHEMBL831075 0.88 SCN9A (0.37) SCN9APPARGRORCCYP2C8BRD4
SCHEMBL831192 0.83 SCN9A (0.35) SCN9AMGAT2CYP2C8
SCHEMBL862351 0.82 CYP2C8 (0.43) SCN9APPARGPARGCYP2C8
SCHEMBL861889 0.82 CYP2C8 (0.43) SCN9APPARGPARGCYP2C8
SCHEMBL831090 0.82 KDM4E (0.33) SCN9ARORCCYP2C8
SCHEMBL862326 0.81 CYP2C8 (0.38) SCN9ARORCCYP2C8
SCHEMBL10257269 0.81 CYP2C8 (0.40) SCN9APPARGCYP2C8CYP2C9CYP3A4
SCHEMBL862540 0.81 CYP2C8 (0.40) SCN9APPARGCYP2C8
SCHEMBL862182 0.81 CYP2C8 (0.40) SCN9APPARGCYP2C8

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 SCN9A 3807/4885PPARG 4093/4885RORC 221/4885

“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.