SCHEMBL830764

SCHEMBL830764

COc1ccc2c(c1)c(-c1ccccc1F)c(C(=O)NS(C)(=O)=O)n2Cc1cc(F)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.48
EDNRB P24530 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.40
SCN9A Q15858 1/20 0.39
PLA2G2A P14555 2/20 0.39
ADAM17 P78536 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
DHODH Q02127 1/20 0.38
YWHAH Q04917 1/20 0.38

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
SCHEMBL831658 0.93 PPARG (0.48) PPARGEDNRBTP53MAPTPLA2G2A
SCHEMBL831243 0.92 EDNRB (0.43) PPARGEDNRBTP53MAPTSCN9A
SCHEMBL862217 0.89 PPARG (0.43) PPARGEDNRBTP53MAPTSCN9A
SCHEMBL831669 0.89 MAPT (0.42) PPARGMAPTSCN9ADHODH
SCHEMBL12665179 0.86 EDNRB (0.49) EDNRBTP53MAPTYWHAH
SCHEMBL830903 0.85 PPARG (0.42) PPARGEDNRBTP53SCN9ADHODH
SCHEMBL862647 0.83 EDNRB (0.41) PPARGEDNRBSCN9A
SCHEMBL10261596 0.83 PPARG (0.46) PPARGEDNRBTP53MAPTPLA2G2A
SCHEMBL831730 0.82 PPARG (0.43) PPARGEDNRBTP53MAPT
SCHEMBL831908 0.81 KMT2A (0.43) PPARGMAPTSCN9ADHODH

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 4093/4885EDNRB 1094/4885TP53 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.