SCHEMBL1177703

SCHEMBL1177703

Cc1c(CCC(=O)O)cccc1NC(=O)C(c1ccc(CN)cc1)C1CCCC1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGES O14684 11/20 0.75
PTGS2 P35354 15/20 0.71

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
SCHEMBL12871986 0.87 PTGES (0.59) PTGESPTGS2
SCHEMBL7605967 0.85 PTGES (0.65) PTGESPTGS2
SCHEMBL1178895 0.84 PTGES (0.64) PTGESPTGS2
SCHEMBL1178393 0.84 PTGES (0.63) PTGESPTGS2
SCHEMBL17857968 0.83 PTGS2 (1.00) PTGESPTGS2
SCHEMBL17847173 0.83 PTGS2 (1.00) PTGESPTGS2
SCHEMBL1178402 0.83 PTGS2 (0.67) PTGESPTGS2
SCHEMBL13660762 0.83 PTGES (0.62) PTGESPTGS2
SCHEMBL17846825 0.82 PTGES (0.71) PTGESPTGS2
SCHEMBL1177876 0.82 PTGES (0.66) PTGESPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 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-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF OTC, PC, HCAR2 PTGES 224/4885PTGS2 354/4885

“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.