SCHEMBL832399

SCHEMBL832399

O=C(NS(=O)(=O)c1ccc(Cl)s1)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1cc(F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.43
CYP2C8 P10632 1/20 0.38
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
DDR1 Q08345 2/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
PDPK1 O15530 1/20 0.32
APP P05067 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
P2RY12 Q9H244 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
SCHEMBL832695 0.94 PPARG (0.43) PPARGCYP2C8GRIN1GRIN2BPTGDR2
SCHEMBL831979 0.93 PPARG (0.46) PPARGCYP2C8GRIN1GRIN2BAPP
SCHEMBL832287 0.87 CYP2C8 (0.39) PPARGCYP2C8PTGDR2PDPK1
SCHEMBL832029 0.86 PPARG (0.43) PPARGCYP2C8GRIN1GRIN2BDDR1
SCHEMBL862463 0.86 PPARG (0.43) PPARGCYP2C8PTGDR2
SCHEMBL832446 0.86 CYP2C8 (0.37) PPARGCYP2C8PTGDR2CYP3A4CYP2C9
SCHEMBL831452 0.86 CYP2C8 (0.40) PPARGCYP2C8GRIN1GRIN2BDDR1
SCHEMBL862187 0.85 PPARG (0.48) PPARGCYP2C8
SCHEMBL831488 0.84 SCN9A (0.40) PPARGCYP2C8GRIN1GRIN2BDDR1
SCHEMBL831578 0.82 SCN9A (0.38) PPARGCYP2C8GRIN1GRIN2BDDR1

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 847/4885GRIN1 2446/4885

“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.