SCHEMBL831027

SCHEMBL831027

CCc1ccc2c(c1)c(-c1ccc(C)[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 2/20 0.36
TRPM4 Q8TD43 1/20 0.35
EDNRB P24530 1/20 0.35
PARG Q86W56 1/20 0.34
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 2/20 0.34
PLA2G2A P14555 1/20 0.34
AURKA O14965 1/20 0.33
TPX2 Q9ULW0 1/20 0.33
DPP4 P27487 1/20 0.33
PTGER4 P35408 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL832157 0.92 KMT2A (0.38) EDNRBPARGMAPTTP53MEN1
SCHEMBL831856 0.92 OPRM1 (0.38) TRPM4PARGL3MBTL1TP53RXFP1
SCHEMBL831747 0.90 PTGER3 (0.38) PTGER3PARGMAPTL3MBTL1TP53
SCHEMBL831568 0.87 PTGDR2 (0.36) EDNRBTP53ALDH1A1PPARG
SCHEMBL831032 0.87 PTGDR2 (0.36) EDNRBAURKATPX2
SCHEMBL8860573 0.84 CYP2C9 (0.31) AURKATPX2
SCHEMBL831161 0.84 S1PR3 (0.32) PPARGPLA2G2AAURKATPX2
SCHEMBL862506 0.82 KMT2A (0.41) EDNRBPARGMAPTTP53ALDH1A1
SCHEMBL831751 0.81 CYP2C8 (0.41) EDNRBPARGMAPTTP53ALDH1A1
SCHEMBL10266643 0.80 KMT2A (0.36) TRPM4EDNRBPARGMAPTTP53

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 PTGER3 1617/4885TRPM4 3299/4885EDNRB 1094/4885

“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.