SCHEMBL831326

SCHEMBL831326

CS(=O)(=O)c1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccc(F)cc2F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.40
PPARG P37231 5/20 0.35
PTGDR2 Q9Y5Y4 4/20 0.35
PDE4A P27815 1/20 0.34
PDE7A Q13946 1/20 0.34
CCR1 P32246 1/20 0.34
CCR2 P41597 1/20 0.34
RXRA P19793 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
FLT1 P17948 2/20 0.33
FLT4 P35916 2/20 0.33
KDR P35968 2/20 0.33
MAPK8 P45983 1/20 0.33
KCNK3 O14649 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL862901 0.92 CYP2C8 (0.39) CYP2C8PPARGPTGDR2PDE4APDE7A
SCHEMBL10255303 0.90 CYP2C8 (0.39) CYP2C8PPARGPTGDR2PDE4APDE7A
SCHEMBL10258012 0.90 CYP2C8 (0.38) CYP2C8PPARGPTGDR2CCR1CCR2
SCHEMBL862717 0.90 CYP2C8 (0.42) CYP2C8PPARGPTGDR2CCR1CCR2
SCHEMBL832081 0.90 CYP2C8 (0.44) CYP2C8PPARGPTGDR2KMT2A
SCHEMBL862158 0.89 CYP2C8 (0.41) CYP2C8PPARGPTGDR2CCR1CCR2
SCHEMBL10255027 0.89 CYP2C8 (0.40) CYP2C8PPARGPTGDR2CCR1CCR2
SCHEMBL862268 0.88 AGTR1 (0.40) CYP2C8PPARGPDE4APDE7AKMT2A
SCHEMBL862042 0.87 CYP2C8 (0.38) CYP2C8PPARGPTGDR2PDE4APDE7A
SCHEMBL862466 0.87 CYP2C8 (0.36) CYP2C8PPARGPTGDR2CCR1CCR2

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 4093/4885PTGDR2 1609/4885

“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.