SCHEMBL862136

SCHEMBL862136

O=C(NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1cc(F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.43
PPARG P37231 3/20 0.42
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
CYP2C8 P10632 1/20 0.39
ABL1 P00519 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
CCR9 P51686 4/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
FBP1 P09467 1/20 0.35
LGALS8 O00214 1/20 0.35
LGALS3 P17931 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
BCL2 P10415 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL862166 0.93 CYP2C8 (0.42) PPARGAKR1C3AKR1C2CYP2C8PTGDR2
SCHEMBL862560 0.93 FLT1 (0.42) PPARGAKR1C3AKR1C2CYP2C8PTGDR2
SCHEMBL862131 0.92 PPARG (0.47) PPARGAKR1C3AKR1C2CYP2C8FLT1
SCHEMBL862463 0.91 PPARG (0.43) PPARGAKR1C3AKR1C2CYP2C8PTGDR2
SCHEMBL832498 0.91 CYP2C8 (0.45) SERPINE1PPARGCYP2C8PTGDR2FLT1
SCHEMBL10256531 0.90 FLT1 (0.41) PPARGAKR1C3AKR1C2CYP2C8PTGDR2
SCHEMBL832619 0.90 CYP2C8 (0.41) PPARGCYP2C8PTGDR2FLT1FLT4
SCHEMBL862717 0.89 CYP2C8 (0.42) PPARGCYP2C8PTGDR2FLT1FLT4
SCHEMBL862164 0.89 CYP2C8 (0.42) PPARGCYP2C8PTGDR2FLT1FLT4
SCHEMBL10255773 0.89 CYP2C8 (0.44) PPARGAKR1C3AKR1C2CYP2C8PTGDR2

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 2 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-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 SERPINE1 3846/4885PPARG 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.