SCHEMBL832646

SCHEMBL832646

COC(=O)c1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccnc(N)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.38
MCL1 Q07820 3/20 0.38
MAPK8 P45983 2/20 0.35
KMT2A Q03164 2/20 0.35
RIPK3 Q9Y572 1/20 0.34
RCE1 Q9Y256 1/20 0.34
CYP2C8 P10632 1/20 0.34
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER1 P34995 1/20 0.33
BRD4 O60885 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 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
SCHEMBL832261 0.93 FLT1 (0.41) PPARGMCL1MAPK8KMT2ACYP2C8
SCHEMBL832230 0.92 KMT2A (0.39) PPARGMCL1KMT2ARCE1CYP2C8
SCHEMBL831696 0.91 PPARG (0.38) PPARGMCL1KMT2ARCE1CYP2C8
SCHEMBL832303 0.90 PPARG (0.37) PPARGMCL1KMT2ARCE1CYP2C8
SCHEMBL832375 0.90 KMT2A (0.42) PPARGMCL1KMT2ARCE1CYP2C8
SCHEMBL10256514 0.90 PPARG (0.35) PPARGMCL1KMT2ARCE1CYP2C8
SCHEMBL832357 0.89 FLT1 (0.36) PPARGMCL1MAPK8KMT2ACYP2C8
SCHEMBL862343 0.89 MCL1 (0.37) PPARGMCL1MAPK8KMT2ARCE1
SCHEMBL831806 0.89 PPARG (0.45) PPARGMCL1KMT2AFLT1FLT4
SCHEMBL831130 0.88 KMT2A (0.39) PPARGMCL1KMT2ARCE1CYP2C8

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 PPARG 4093/4885MCL1 872/4885MAPK8 4136/4885

“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.