SCHEMBL862450

SCHEMBL862450

CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1cc2ccccc2nc1Cl

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.60
KMT2A Q03164 7/20 0.37
CCR2 P41597 1/20 0.36
RCE1 Q9Y256 1/20 0.35
PPARG P37231 1/20 0.35
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SCN9A Q15858 2/20 0.33
CHEK1 O14757 1/20 0.33
CDK1 P06493 1/20 0.33
WEE1 P30291 1/20 0.33
MAPT P10636 1/20 0.33
FAAH O00519 1/20 0.33
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32

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
SCHEMBL832115 0.92 CYP2C8 (0.62) CYP2C8KMT2ACCR2RCE1MEN1
SCHEMBL831547 0.91 CYP2C8 (0.56) CYP2C8KMT2ARCE1MEN1KDM4E
SCHEMBL12665587 0.89 CYP2C8 (0.75) CYP2C8KMT2ARCE1PPARGMEN1
SCHEMBL12665822 0.89 CYP2C8 (0.65) CYP2C8KMT2ARCE1MEN1KDM4E
SCHEMBL831987 0.89 CYP2C8 (0.60) CYP2C8KMT2ARCE1PPARGMEN1
SCHEMBL832432 0.88 CYP2C8 (0.69) CYP2C8KMT2ACCR2RCE1MEN1
SCHEMBL832847 0.85 CYP2C8 (0.65) CYP2C8KMT2ACCR2RCE1PPARG
SCHEMBL862351 0.85 CYP2C8 (0.43) CYP2C8KMT2APPARGMEN1KDM4E
SCHEMBL861889 0.85 CYP2C8 (0.43) CYP2C8KMT2APPARGMEN1KDM4E
SCHEMBL832179 0.84 CYP2C8 (0.49) CYP2C8KMT2ARCE1MEN1KDM4E

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 847/4885KMT2A 321/4885CCR2 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.