SCHEMBL831658

SCHEMBL831658

COc1ccc2c(c1)c(-c1ccccc1F)c(C(=O)NS(C)(=O)=O)n2Cc1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.48
F2RL3 Q96RI0 2/20 0.42
KCNK3 O14649 1/20 0.41
KCNK5 O95279 1/20 0.41
KCNA5 P22460 1/20 0.41
KCNK17 Q96T54 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
TP53 P04637 4/20 0.41
MAPT P10636 1/20 0.40
EDNRB P24530 1/20 0.39
PLA2G2A P14555 1/20 0.39
ADAM17 P78536 1/20 0.39
DHODH Q02127 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
SCHEMBL830764 0.93 PPARG (0.48) PPARGTP53MAPTEDNRBPLA2G2A
SCHEMBL830903 0.92 PPARG (0.42) PPARGF2RL3TP53EDNRBDHODH
SCHEMBL831730 0.89 PPARG (0.43) PPARGF2RL3KCNK3KCNK5KCNA5
SCHEMBL12665176 0.86 TP53 (0.48) F2RL3TP53MAPTEDNRB
SCHEMBL831243 0.85 EDNRB (0.43) PPARGTP53MAPTEDNRBDHODH
SCHEMBL10261596 0.83 PPARG (0.46) PPARGTP53MAPTEDNRBPLA2G2A
SCHEMBL862217 0.82 PPARG (0.43) PPARGTP53MAPTEDNRBPLA2G2A
SCHEMBL831669 0.81 MAPT (0.42) PPARGMAPTDHODH
SCHEMBL831908 0.81 KMT2A (0.43) PPARGMAPTDHODH
SCHEMBL831825 0.81 CYP2C8 (0.39) PPARGF2RL3TP53MAPTEDNRB

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 4093/4885F2RL3 1782/4885KCNK3 1098/4885

“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.