SCHEMBL832334

SCHEMBL832334

COc1ccc(OC)c(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccnc(N)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
PPARG P37231 6/20 0.38
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
PLA2G2A P14555 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 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
SCHEMBL831806 0.91 PPARG (0.45) PTGDR2PPARGKMT2A
SCHEMBL832270 0.89 PPARG (0.38) PPARGKMT2AMAPTLMNA
SCHEMBL832357 0.87 FLT1 (0.36) PPARGKMT2AMAPTLMNA
SCHEMBL831458 0.87 KMT2A (0.37) PTGDR2PPARGKMT2ALMNA
SCHEMBL831690 0.87 KMT2A (0.40) PTGDR2PPARGKMT2AMEN1
SCHEMBL831706 0.86 KMT2A (0.39) PTGDR2PPARGKMT2AMEN1MAPT
SCHEMBL831545 0.86 KMT2A (0.40) PTGDR2PPARGKMT2AKDM4EMEN1
SCHEMBL832554 0.85 KMT2A (0.37) PPARGKMT2AKDM4EMEN1ALDH1A1
SCHEMBL832375 0.85 KMT2A (0.42) PTGDR2PPARGKMT2A
SCHEMBL830953 0.85 KMT2A (0.39) PTGDR2KMT2AKDM4EMEN1HPGD

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 ALPL 4279/4885PTGDR2 1609/4885PPARG 4093/4885

“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.