SCHEMBL829535

SCHEMBL829535

C#Cc1ccc2c(c1)c(-c1cccnc1OC)c(C(=O)O)n2Cc1cc(F)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.36
FFAR4 Q5NUL3 1/20 0.35
EDNRB P24530 5/20 0.35
PPARG P37231 2/20 0.35
GPR6 P46095 1/20 0.35
TP53 P04637 2/20 0.34
CARM1 Q86X55 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.34
CYP2C8 P10632 1/20 0.34
EDNRA P25101 2/20 0.33

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
SCHEMBL830167 0.87 EDNRB (0.42) PTGDR2FFAR4EDNRBTP53EDNRA
SCHEMBL832411 0.86 EDNRB (0.49) EDNRBPPARGTP53MAPTEDNRA
SCHEMBL12624289 0.83 HTR2A (0.36) PTGDR2FFAR4EDNRBPPARGTP53
SCHEMBL832329 0.83 HTR2A (0.36) PTGDR2FFAR4EDNRBPPARGTP53
SCHEMBL14025926 0.83 PPARG (0.37) FFAR4EDNRBPPARGTP53MAPT
SCHEMBL832108 0.83 PDE4A (0.39) PTGDR2EDNRBTP53EDNRA
SCHEMBL829212 0.81 GABRA1 (0.42) PTGDR2PPARGGPR6MEN1KMT2A
SCHEMBL14802300 0.80 PPARG (0.41) FFAR4PPARGTP53MAPTCYP2C8
SCHEMBL830093 0.79 KMT2A (0.45) PTGDR2FFAR4EDNRBTP53MEN1
SCHEMBL3693786 0.79 EDNRB (0.38) PTGDR2FFAR4EDNRBTP53CARM1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 EP disclosed
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-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
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
EP-2197842-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 EP disclosed
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO 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 PTGDR2 1609/4885FFAR4 4134/4885EDNRB 1094/4885

“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.