SCHEMBL832353

SCHEMBL832353

CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.38
CCR2 P41597 2/20 0.36
PPARG P37231 4/20 0.35
RORC P51449 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
PLA2G2A P14555 1/20 0.34
CHEK1 O14757 1/20 0.33
CDK1 P06493 1/20 0.33
WEE1 P30291 1/20 0.33
FLT1 P17948 2/20 0.33
FLT4 P35916 2/20 0.33
KDR P35968 2/20 0.33
PTGES O14684 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 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
SCHEMBL830923 0.92 CYP2C8 (0.37) CYP2C8CCR2PPARGRORCALDH1A1
SCHEMBL832281 0.92 CYP2C8 (0.38) CYP2C8PPARGALDH1A1KDM4ELMNA
SCHEMBL831948 0.91 CYP2C8 (0.40) CYP2C8CCR2ALDH1A1KDM4ELMNA
SCHEMBL831166 0.91 ALDH1A1 (0.37) CYP2C8CCR2PPARGRORCALDH1A1
SCHEMBL13906262 0.90 CYP2C8 (0.47) CYP2C8CCR2PPARGALDH1A1KDM4E
SCHEMBL12665816 0.90 CYP2C8 (0.40) CYP2C8CCR2PPARGRORCALDH1A1
SCHEMBL8859006 0.88 CYP2C8 (0.38) CYP2C8CCR2PPARGCHEK1CDK1
SCHEMBL13905346 0.86 CYP2C8 (0.36) CYP2C8
SCHEMBL862351 0.83 CYP2C8 (0.43) CYP2C8PPARGALDH1A1KDM4EMEN1
SCHEMBL861889 0.83 CYP2C8 (0.43) CYP2C8PPARGALDH1A1KDM4ELMNA

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 2 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-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 CYP2C8 847/4885CCR2 106/4885PPARG 4093/4885

“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.