SCHEMBL831243

SCHEMBL831243

CCOc1ccc2c(c1)c(-c1ccccc1F)c(C(=O)NS(C)(=O)=O)n2Cc1cc(F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.43
PPARG P37231 2/20 0.42
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PER2 O15055 1/20 0.38
CRY1 Q16526 1/20 0.38
CRY2 Q49AN0 1/20 0.38
SCN9A Q15858 4/20 0.38
KAT6A Q92794 1/20 0.37
DHODH Q02127 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
MAPT P10636 2/20 0.36
SCN5A Q14524 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL830903 0.93 PPARG (0.42) EDNRBPPARGTP53RXFP1MEN1
SCHEMBL830764 0.92 PPARG (0.48) EDNRBPPARGTP53SCN9ADHODH
SCHEMBL830885 0.89 EDNRB (0.40) EDNRBPPARGTP53RXFP1PER2
SCHEMBL862647 0.88 EDNRB (0.41) EDNRBPPARGSCN9ASCN5A
SCHEMBL831669 0.87 MAPT (0.42) PPARGMEN1KMT2ASCN9ADHODH
SCHEMBL12665227 0.87 EDNRB (0.51) EDNRBTP53RXFP1MEN1KMT2A
SCHEMBL831658 0.85 PPARG (0.48) EDNRBPPARGTP53DHODHMAPT
SCHEMBL862397 0.84 TP53 (0.44) EDNRBPPARGTP53RXFP1MEN1
SCHEMBL831825 0.83 CYP2C8 (0.39) EDNRBPPARGTP53RXFP1PER2
SCHEMBL862217 0.81 PPARG (0.43) EDNRBPPARGTP53SCN9AMAPT

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 EDNRB 1094/4885PPARG 4093/4885TP53 789/4885

“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.