SCHEMBL831033

SCHEMBL831033

CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C(C)C)n2Cc1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.41
PPARG P37231 7/20 0.35
KDM4E B2RXH2 1/20 0.35
CNR2 P34972 2/20 0.33
F10 P00742 1/20 0.33
EDNRB P24530 1/20 0.33
KMT2A Q03164 4/20 0.33
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
RORC P51449 1/20 0.32
MEN1 O00255 1/20 0.32
CMA1 P23946 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
SCHEMBL830785 0.91 CYP2C8 (0.42) CYP2C8KDM4EEDNRBKMT2AAGTR1
SCHEMBL832336 0.89 CYP2C8 (0.39) CYP2C8PPARGKMT2AMEN1
SCHEMBL831956 0.88 CYP2C8 (0.40) CYP2C8PPARGKDM4ECNR2F10
SCHEMBL831476 0.86 CYP2C8 (0.39) CYP2C8PPARGEDNRBKMT2AAGTR1
SCHEMBL832522 0.84 PPARG (0.38) CYP2C8PPARGKMT2AAGTR1AGTR2
SCHEMBL832181 0.84 CYP2C8 (0.38) CYP2C8PPARGKDM4EKMT2AAGTR1
SCHEMBL830923 0.83 CYP2C8 (0.37) CYP2C8PPARGKDM4EKMT2ARORC
SCHEMBL13905346 0.82 CYP2C8 (0.36) CYP2C8
SCHEMBL862351 0.82 CYP2C8 (0.43) CYP2C8PPARGKDM4EEDNRBKMT2A
SCHEMBL831710 0.82 CYP2C8 (0.43) CYP2C8KDM4EKMT2AMEN1

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 CYP2C8 847/4885PPARG 4093/4885KDM4E 1061/4885

“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.