SCHEMBL831979

SCHEMBL831979

O=C(NS(=O)(=O)c1ccc(Cl)s1)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.46
CYP2C8 P10632 1/20 0.40
KMT2A Q03164 3/20 0.37
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
EPHX2 P34913 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
APP P05067 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
SCHEMBL832695 0.93 PPARG (0.43) PPARGCYP2C8GRIN1GRIN2BAPP
SCHEMBL832399 0.93 PPARG (0.43) PPARGCYP2C8GRIN1GRIN2BAPP
SCHEMBL831649 0.89 SCN5A (0.41) PPARGCYP2C8KMT2AEPHX2LMNA
SCHEMBL831415 0.86 PPARG (0.46) PPARGCYP2C8KMT2AGRIN1GRIN2B
SCHEMBL830972 0.85 CYP2C8 (0.42) PPARGCYP2C8KMT2AGRIN1GRIN2B
SCHEMBL831389 0.85 PPARG (0.40) PPARGCYP2C8KMT2AGRIN1GRIN2B
SCHEMBL831618 0.85 KMT2A (0.41) PPARGCYP2C8KMT2AGRIN1GRIN2B
SCHEMBL831333 0.85 KMT2A (0.41) PPARGCYP2C8KMT2AGRIN1GRIN2B
SCHEMBL832197 0.84 KMT2A (0.38) PPARGCYP2C8KMT2AGRIN1GRIN2B
SCHEMBL832287 0.84 CYP2C8 (0.39) PPARGCYP2C8KMT2AAGTR1AGTR2

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 847/4885KMT2A 321/4885

“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.