SCHEMBL831622

SCHEMBL831622

Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.41
PIK3R1 P27986 2/20 0.40
PIK3CA P42336 2/20 0.40
PLA2G2A P14555 1/20 0.40
KMT2A Q03164 3/20 0.39
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNG3 O60359 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNB3 P54284 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNG7 P62955 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNB1 Q02641 1/20 0.39
CACNG1 Q06432 1/20 0.39
CACNB2 Q08289 1/20 0.39
CACNA1S Q13698 1/20 0.39

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
SCHEMBL831835 0.90 CACNB4 (0.38) PPARGPIK3R1PIK3CAPLA2G2AKMT2A
SCHEMBL831753 0.89 CYP2C8 (0.41) PPARGPLA2G2AKMT2AALDH1A1SMN1; SMN2
SCHEMBL12665134 0.88 CYP2C8 (0.45) PPARGPIK3R1PIK3CAPLA2G2AKMT2A
SCHEMBL12665804 0.88 PIK3R1 (0.44) PPARGPIK3R1PIK3CAPLA2G2AKMT2A
SCHEMBL831948 0.88 CYP2C8 (0.40) PLA2G2AKMT2AALDH1A1SMN1; SMN2CCR2
SCHEMBL862277 0.84 KMT2A (0.45) PPARGKMT2AALDH1A1MEN1CYP1A2
SCHEMBL831523 0.82 CYP2C8 (0.43) PPARGKMT2AALDH1A1MEN1CYP2C19
SCHEMBL831903 0.81 CYP2C8 (0.45) PPARGKMT2AALDH1A1MEN1CYP2C19
SCHEMBL862357 0.81 KMT2A (0.44) PPARGKMT2AALDH1A1CCR2MEN1
SCHEMBL862140 0.81 KMT2A (0.47) PPARGPLA2G2AKMT2AALDH1A1CCR2

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 4093/4885PIK3R1 4764/4885PIK3CA 4484/4885

“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.