SCHEMBL831833

SCHEMBL831833

CC(C)(C)NC(=O)Nc1cccc(Cn2c(C(=O)NS(C)(=O)=O)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
KMT2A Q03164 3/20 0.38
RCE1 Q9Y256 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SERPINE1 P05121 2/20 0.36
ACKR3 P25106 6/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2C8 P10632 1/20 0.35
MCL1 Q07820 1/20 0.35
BRD4 O60885 1/20 0.34
PTGDR2 Q9Y5Y4 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
SCHEMBL832009 0.91 BRD4 (0.39) PPARGKMT2ARCE1KDM4EALDH1A1
SCHEMBL862541 0.90 KMT2A (0.42) PPARGKMT2ARCE1KDM4EALDH1A1
SCHEMBL862140 0.88 KMT2A (0.47) PPARGKMT2ARCE1KDM4EALDH1A1
SCHEMBL862067 0.86 KMT2A (0.50) PPARGKMT2ARCE1KDM4EALDH1A1
SCHEMBL10256439 0.86 KMT2A (0.42) PPARGKMT2ARCE1KDM4EALDH1A1
SCHEMBL862277 0.86 KMT2A (0.45) PPARGKMT2ARCE1KDM4EALDH1A1
SCHEMBL862037 0.85 KMT2A (0.44) PPARGKMT2ARCE1KDM4EALDH1A1
SCHEMBL862200 0.85 KMT2A (0.42) PPARGKMT2ARCE1KDM4EALDH1A1
SCHEMBL862125 0.85 KMT2A (0.42) PPARGKMT2ARCE1KDM4EALDH1A1
SCHEMBL10257130 0.84 PPARG (0.55) PPARGKMT2ARCE1HPGDCYP2C8

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 321/4885RCE1 1745/4885

“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.