SCHEMBL831695

SCHEMBL831695

COc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1ccc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.41
CYP2C8 P10632 1/20 0.40
SCN9A Q15858 2/20 0.37
SCN2B O60939 1/20 0.37
SCN1A P35498 1/20 0.37
SCN1B Q07699 1/20 0.37
SCN5A Q14524 1/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.37
AKR1B1 P15121 1/20 0.37
PLA2G2A P14555 1/20 0.36
EDNRB P24530 3/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
EDNRA P25101 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
SCHEMBL831523 0.93 CYP2C8 (0.43) PPARGCYP2C8SCN9ASCN2BSCN1A
SCHEMBL862209 0.89 CYP2C8 (0.44) CYP2C8SCN9ASCN2BSCN1ASCN1B
SCHEMBL862540 0.88 CYP2C8 (0.40) PPARGCYP2C8SCN9ASCN2BSCN1A
SCHEMBL12665127 0.88 CYP2C8 (0.51) CYP2C8PTGDR2PLA2G2AEDNRBTP53
SCHEMBL831730 0.88 PPARG (0.43) PPARGCYP2C8PTGDR2EDNRBTP53
SCHEMBL10261596 0.87 PPARG (0.46) PPARGCYP2C8PTGDR2PLA2G2AEDNRB
SCHEMBL831903 0.87 CYP2C8 (0.45) PPARGCYP2C8SCN9ASCN2BSCN1A
SCHEMBL831952 0.87 PPARG (0.42) PPARGCYP2C8SCN9ASCN2BSCN1A
SCHEMBL862217 0.86 PPARG (0.43) PPARGCYP2C8SCN9APTGDR2PLA2G2A
SCHEMBL862206 0.84 CYP2C8 (0.43) PPARGCYP2C8SCN9ASCN5APLA2G2A

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 PPARG 4093/4885CYP2C8 847/4885SCN9A 3807/4885

“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.