SCHEMBL831649

SCHEMBL831649

O=C(NS(=O)(=O)c1cccs1)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
KMT2A Q03164 5/20 0.38
CYP2C8 P10632 1/20 0.38
PPARG P37231 8/20 0.37
MEN1 O00255 2/20 0.35
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EPHX2 P34913 1/20 0.34
USP2 O75604 1/20 0.34
USP8 P40818 1/20 0.34
PTGER3 P43115 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
SCHEMBL831979 0.89 PPARG (0.46) KMT2ACYP2C8PPARGLMNANPSR1
SCHEMBL831415 0.87 PPARG (0.46) SCN5ASCN9AKMT2ACYP2C8PPARG
SCHEMBL830972 0.86 CYP2C8 (0.42) KMT2ACYP2C8PPARGMEN1LMNA
SCHEMBL831618 0.86 KMT2A (0.41) KMT2ACYP2C8PPARGLMNANPSR1
SCHEMBL831389 0.86 PPARG (0.40) KMT2ACYP2C8PPARGMEN1LMNA
SCHEMBL831333 0.86 KMT2A (0.41) KMT2ACYP2C8PPARGMEN1LMNA
SCHEMBL832197 0.85 KMT2A (0.38) KMT2ACYP2C8PPARGMEN1LMNA
SCHEMBL831215 0.85 PPARG (0.39) KMT2ACYP2C8PPARGLMNANPSR1
SCHEMBL832430 0.85 PPARG (0.45) KMT2ACYP2C8PPARGLMNANPSR1
SCHEMBL831676 0.85 PPARG (0.45) KMT2ACYP2C8PPARGLMNANPSR1

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 SCN5A 1398/4885SCN9A 3807/4885KMT2A 321/4885

“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.