SCHEMBL830903

SCHEMBL830903

CCOc1ccc2c(c1)c(-c1ccccc1F)c(C(=O)NS(C)(=O)=O)n2Cc1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.42
EDNRB P24530 3/20 0.41
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
F2RL3 Q96RI0 2/20 0.39
SCN9A Q15858 2/20 0.38
SCN5A Q14524 1/20 0.38
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
DHODH Q02127 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
ALOX5AP P20292 1/20 0.37
PTGER1 P34995 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
SCHEMBL831243 0.93 EDNRB (0.43) PPARGEDNRBTP53RXFP1SCN9A
SCHEMBL831658 0.92 PPARG (0.48) PPARGEDNRBTP53F2RL3DHODH
SCHEMBL831825 0.89 CYP2C8 (0.39) PPARGEDNRBTP53RXFP1F2RL3
SCHEMBL830764 0.85 PPARG (0.48) PPARGEDNRBTP53SCN9ADHODH
SCHEMBL862397 0.84 TP53 (0.44) PPARGEDNRBTP53RXFP1SCN9A
SCHEMBL830885 0.83 EDNRB (0.40) PPARGEDNRBTP53RXFP1SCN9A
SCHEMBL862647 0.82 EDNRB (0.41) PPARGEDNRBSCN9ASCN5A
SCHEMBL831730 0.81 PPARG (0.43) PPARGEDNRBTP53F2RL3PTGDR2
SCHEMBL831669 0.80 MAPT (0.42) PPARGSCN9ASCN5AMEN1KMT2A
SCHEMBL12665227 0.80 EDNRB (0.51) EDNRBTP53RXFP1MEN1KMT2A

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.