SCHEMBL8739309

SCHEMBL8739309

COCc1nc(Cc2ccc(NC(=O)OCc3ccccc3)cc2)nc(N(C)C2CC2)c1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.46
TBXA2R P21731 1/20 0.43
PTGDR Q13258 1/20 0.43
KDM1A O60341 2/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
POLB P06746 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
ENPP2 Q13822 2/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
TGM2 P21980 1/20 0.37

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
SCHEMBL1009421 0.90 PTGDR2 (0.51) PTGDR2TBXA2RPTGDRPOLBENPP2
SCHEMBL1009275 0.82 PTGDR2 (0.57) PTGDR2TBXA2RPTGDRPOLBENPP2
SCHEMBL1010718 0.81 PTGDR2 (0.59) PTGDR2TBXA2RPTGDRKDM1AMAOA
SCHEMBL8739208 0.78 PTGDR2 (0.56) PTGDR2TBXA2RPTGDRKDM1AMAOA
SCHEMBL1010070 0.77 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRPOLBENPP2
SCHEMBL8738296 0.76 PTGDR2 (0.51) PTGDR2TBXA2RPTGDRKDM1AMAOA
SCHEMBL10206853 0.76 PTGDR2 (0.51) PTGDR2TBXA2RPTGDRPOLBENPP2
SCHEMBL10206856 0.74 PTGDR2 (0.55) PTGDR2KDM1AMAOAMAOBPOLB
SCHEMBL1010670 0.73 PTGDR2 (0.59) PTGDR2TBXA2RPTGDR
SCHEMBL1008677 0.73 PTGDR2 (0.47) PTGDR2TBXA2RPTGDRPOLBENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129820-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 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-20120129820-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS HRH2, HRH1, HRH4 PTGDR2 11/4885TBXA2R 20/4885PTGDR 30/4885

“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.