SCHEMBL831747

SCHEMBL831747

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 2/20 0.38
PPARG P37231 3/20 0.37
CCR2 P41597 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PLA2G2A P14555 1/20 0.36
MCL1 Q07820 1/20 0.36
MAPT P10636 3/20 0.35
CHEK1 O14757 1/20 0.35
CDK1 P06493 1/20 0.35
WEE1 P30291 1/20 0.35
SCN9A Q15858 1/20 0.35
PARG Q86W56 1/20 0.35
PTPRG P23470 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL862506 0.91 KMT2A (0.41) PPARGTP53ALDH1A1MEN1KMT2A
SCHEMBL831027 0.90 PTGER3 (0.36) PTGER3PPARGL3MBTL1TP53RXFP1
SCHEMBL831757 0.86 PTGDR2 (0.38) PPARGTP53SCN9A
SCHEMBL831401 0.86 PTGDR2 (0.38) PPARGTP53SCN9A
SCHEMBL831842 0.83 KMT2A (0.39) TP53ALDH1A1MEN1KMT2AMAPT
SCHEMBL831919 0.82 TP53 (0.38) PPARGL3MBTL1TP53RXFP1ALDH1A1
SCHEMBL832157 0.82 KMT2A (0.38) TP53MEN1KMT2AMAPTSCN9A
SCHEMBL831856 0.81 OPRM1 (0.38) L3MBTL1TP53RXFP1ALDH1A1MEN1
SCHEMBL831536 0.81 PPARG (0.40) PPARGMEN1KMT2APARGPTPRG
SCHEMBL861889 0.81 CYP2C8 (0.43) PPARGTP53ALDH1A1MEN1KMT2A

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 1617/4885PPARG 4093/4885CCR2 106/4885

“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.