SCHEMBL830167

SCHEMBL830167

CCc1ccc2c(c1)c(-c1cccnc1OC)c(C(=O)O)n2Cc1cc(F)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 11/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.38
EDNRA P25101 6/20 0.38
FFAR4 Q5NUL3 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
SCHEMBL3693786 0.92 EDNRB (0.38) EDNRBTP53POLBPTGDR2FFAR4
SCHEMBL829604 0.91 KMT2A (0.43) EDNRBTP53POLBEDNRAFFAR4
SCHEMBL832411 0.89 EDNRB (0.49) EDNRBTP53EDNRA
SCHEMBL829535 0.87 PTGDR2 (0.36) EDNRBTP53PTGDR2EDNRAFFAR4
SCHEMBL829942 0.85 EDNRB (0.37) EDNRBTP53PTGDR2
SCHEMBL12624289 0.85 HTR2A (0.36) EDNRBTP53PTGDR2EDNRAFFAR4
SCHEMBL832329 0.85 HTR2A (0.36) EDNRBTP53PTGDR2EDNRAFFAR4
SCHEMBL14025926 0.84 PPARG (0.37) EDNRBTP53POLBEDNRAFFAR4
SCHEMBL832053 0.83 PKM (0.44) POLBPTGDR2
SCHEMBL830573 0.83 KMT2A (0.51) EDNRBTP53POLB

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 7 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

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 1094/4885TP53 789/4885POLB 3788/4885

“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.