SCHEMBL832446

SCHEMBL832446

O=C(NS(=O)(=O)c1cc(Cl)c(Cl)s1)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1ccc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.37
PPARG P37231 6/20 0.36
PTGER3 P43115 9/20 0.36
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER2 P43116 1/20 0.33
PTGIR P43119 1/20 0.33
LGALS8 O00214 1/20 0.33
LGALS3 P17931 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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 0.91 PPARG (0.43) CYP2C8PPARGPTGDR2
SCHEMBL832610 0.87 PPARG (0.45) CYP2C8PPARGPTGDR2
SCHEMBL831566 0.86 PPARG (0.43) CYP2C8PPARGPTGDR2
SCHEMBL832399 0.86 PPARG (0.43) CYP2C8PPARGCYP3A4CYP2C9CYP2C19
SCHEMBL831957 0.84 PPARG (0.39) CYP2C8PPARGPTGDR2
SCHEMBL831979 0.84 PPARG (0.46) CYP2C8PPARGKMT2A
SCHEMBL831988 0.83 PPARG (0.55) CYP2C8PPARGPTGDR2
SCHEMBL832287 0.83 CYP2C8 (0.39) CYP2C8PPARGPTGER3PTGDR2MEN1
SCHEMBL831896 0.81 CYP2C8 (0.41) CYP2C8PPARGCYP3A4CYP2C9CYP2C19
SCHEMBL862323 0.81 PPARG (0.42) CYP2C8PPARGKMT2A

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 4093/4885PTGER3 1617/4885

“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.