SCHEMBL3695283

SCHEMBL3695283

C[C@@H]1[C@H](c2ccccc2)OC(=O)N1Cc1ccc(C(C(=O)O)C2CCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.45
ALOX5 P09917 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGDR Q13258 1/20 0.40
CETP P11597 2/20 0.40
CHRM3 P20309 1/20 0.39

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
SCHEMBL3701189 1.00 PTGDR2 (0.45) PTGDR2ALOX5HDAC6TBXA2RPTGDR
SCHEMBL12871537 0.88 PTGDR2 (0.42) PTGDR2TBXA2RPTGDRCETP
SCHEMBL7601045 0.88 PTGDR2 (0.42) PTGDR2TBXA2RPTGDRCETP
Bicarbonate SCHEMBL3700166 0.87 BDKRB2 (0.44) PTGDR2
Bicarbonate SCHEMBL3706241 0.87 BDKRB2 (0.44) PTGDR2
SCHEMBL1178251 0.85 BDKRB2 (0.42) PTGDR2
SCHEMBL1178809 0.85 BDKRB2 (0.42) PTGDR2
SCHEMBL1177882 0.82 MEN1 (0.42) PTGDR2
SCHEMBL1177736 0.82 MEN1 (0.42) PTGDR2
SCHEMBL7602631 0.82 MEN1 (0.42) PTGDR2

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 5 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-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
EP-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 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 PTGDR2 502/4885ALOX5 94/4885HDAC6 771/4885

“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.