SCHEMBL862434

SCHEMBL862434

COc1ccc(Cn2c(C(=O)NS(C)(=O)=O)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.48
KMT2A Q03164 2/20 0.41
CCR2 P41597 1/20 0.40
MCL1 Q07820 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MAPK8 P45983 2/20 0.39
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
CYP2C8 P10632 1/20 0.38
MEN1 O00255 1/20 0.38
RGS12 O14924 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL862037 0.93 KMT2A (0.44) PPARGKMT2ACCR2MCL1PTGDR2
SCHEMBL862179 0.93 PPARG (0.48) PPARGKMT2ACCR2MCL1MAPK8
SCHEMBL862439 0.91 PPARG (0.45) PPARGKMT2AMCL1MAPK8CYP2C8
SCHEMBL862122 0.91 MAPK8 (0.42) PPARGKMT2AMCL1MAPK8PTGS2
SCHEMBL862156 0.91 KMT2A (0.42) PPARGKMT2ACCR2MCL1PTGDR2
SCHEMBL862375 0.91 KMT2A (0.44) PPARGKMT2ACCR2MCL1PTGDR2
SCHEMBL862357 0.91 KMT2A (0.44) PPARGKMT2ACCR2MCL1PTGDR2
SCHEMBL862067 0.91 KMT2A (0.50) PPARGKMT2ACCR2MCL1PTGDR2
SCHEMBL830979 0.91 PPARG (0.41) PPARGKMT2ACCR2MCL1PTGDR2
SCHEMBL862086 0.90 KMT2A (0.42) PPARGKMT2ACCR2MCL1PTGDR2

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 PPARG 4093/4885KMT2A 321/4885CCR2 106/4885

“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.