SCHEMBL832287

SCHEMBL832287

O=C(NS(=O)(=O)c1ccc(Cl)s1)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.39
PPARG P37231 2/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
PTGDR2 Q9Y5Y4 4/20 0.33
KMT2A Q03164 3/20 0.33
CCR2 P41597 2/20 0.33
CCR1 P32246 1/20 0.33
CCR4 P51679 1/20 0.33
PDPK1 O15530 1/20 0.33
MEN1 O00255 1/20 0.33
PGAM1 P18669 1/20 0.32
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
PTGER3 P43115 1/20 0.32
AKR1A1 P14550 1/20 0.32
AKR1B1 P15121 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
SCHEMBL831896 0.93 CYP2C8 (0.41) CYP2C8PPARGPTGDR2KMT2APDPK1
SCHEMBL832695 0.92 PPARG (0.43) CYP2C8PPARGPTGDR2AGTR1AGTR2
SCHEMBL832399 0.87 PPARG (0.43) CYP2C8PPARGPTGDR2PDPK1
SCHEMBL832081 0.87 CYP2C8 (0.44) CYP2C8PPARGPTGDR2KMT2AMEN1
SCHEMBL831326 0.85 CYP2C8 (0.40) CYP2C8PPARGPTGDR2KMT2ACCR2
SCHEMBL862444 0.85 CYP2C8 (0.40) CYP2C8PTGDR2KMT2ACCR2PTGER3
SCHEMBL831979 0.84 PPARG (0.46) CYP2C8PPARGKMT2AAGTR1AGTR2
SCHEMBL862901 0.84 CYP2C8 (0.39) CYP2C8PPARGPTGDR2KMT2ACCR2
SCHEMBL10255303 0.84 CYP2C8 (0.39) CYP2C8PPARGPTGDR2KMT2AMEN1
SCHEMBL10255027 0.84 CYP2C8 (0.40) CYP2C8PPARGPTGDR2KMT2ACCR2

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 4093/4885AKR1C3 1753/4885

“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.