SCHEMBL7601045

SCHEMBL7601045

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.42
TBXA2R P21731 1/20 0.40
PTGDR Q13258 1/20 0.40
CETP P11597 2/20 0.40
CYP3A4 P08684 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL12871537 1.00 PTGDR2 (0.42) PTGDR2TBXA2RPTGDRCETPCYP3A4
SCHEMBL3695283 0.88 PTGDR2 (0.45) PTGDR2TBXA2RPTGDRCETP
SCHEMBL3701189 0.88 PTGDR2 (0.45) PTGDR2TBXA2RPTGDRCETP
Bicarbonate SCHEMBL3706241 0.81 BDKRB2 (0.44) PTGDR2CYP3A4CYP1A2CYP2D6TSHR
Bicarbonate SCHEMBL3700166 0.81 BDKRB2 (0.44) PTGDR2CYP3A4CYP1A2CYP2D6TSHR
SCHEMBL1178251 0.79 BDKRB2 (0.42) PTGDR2CYP3A4LMNACYP1A2CYP2D6
SCHEMBL1178809 0.79 BDKRB2 (0.42) PTGDR2CYP3A4LMNACYP1A2CYP2D6
SCHEMBL1177882 0.79 MEN1 (0.42) PTGDR2CYP3A4CYP1A2CYP2D6TSHR
SCHEMBL1177736 0.79 MEN1 (0.42) PTGDR2CYP3A4CYP1A2CYP2D6TSHR
SCHEMBL7602631 0.79 MEN1 (0.42) PTGDR2CYP3A4CYP1A2CYP2D6TSHR

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 502/4885TBXA2R 270/4885PTGDR 488/4885

“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.