SCHEMBL832522

SCHEMBL832522

CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C(C)C)n2Cc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.38
CYP2C8 P10632 1/20 0.38
THRB P10828 1/20 0.33
MPO P05164 1/20 0.32
TPO P07202 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KMT2A Q03164 1/20 0.31
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL831476 0.91 CYP2C8 (0.39) PPARGCYP2C8HDAC1HDAC8HDAC6
SCHEMBL830785 0.90 CYP2C8 (0.42) CYP2C8KMT2AAGTR1AGTR2
SCHEMBL831551 0.89 SCN9A (0.40) PPARGCYP2C8
SCHEMBL832181 0.89 CYP2C8 (0.38) PPARGCYP2C8KMT2AAGTR1AGTR2
SCHEMBL832739 0.85 PPARG (0.34) PPARGCYP2C8
SCHEMBL831033 0.84 CYP2C8 (0.41) PPARGCYP2C8KMT2AAGTR1AGTR2
SCHEMBL831139 0.83 CYP2C8 (0.40) PPARGCYP2C8KMT2AGRIN1GRIN2B
SCHEMBL10257313 0.83 CYP2C8 (0.43) PPARGCYP2C8KMT2A
SCHEMBL831452 0.83 CYP2C8 (0.40) PPARGCYP2C8KMT2AGRIN1GRIN2B
SCHEMBL831814 0.83 CYP2C8 (0.40) PPARGCYP2C8HDAC1HDAC8HDAC6

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 847/4885THRB 2954/4885

“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.