SCHEMBL1056644

SCHEMBL1056644

C[C@@H]1[C@H](c2ccccc2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.67
CETP P11597 13/20 0.61
TBXA2R P21731 1/20 0.58
PTGDR Q13258 1/20 0.58
NR1I2 O75469 3/20 0.52
KCNH2 Q12809 1/20 0.48

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
SCHEMBL1054596 1.00 PTGDR2 (0.67) PTGDR2CETPTBXA2RPTGDRNR1I2
SCHEMBL1060483 0.91 CETP (0.61) PTGDR2CETPNR1I2KCNH2
SCHEMBL13703997 0.87 PTGDR2 (0.67) PTGDR2CETPTBXA2RPTGDRNR1I2
SCHEMBL1060087 0.85 PTGDR2 (0.62) PTGDR2CETPTBXA2RPTGDR
SCHEMBL12931902 0.84 PTGDR2 (0.48) PTGDR2CETPTBXA2RPTGDRNR1I2
SCHEMBL12931913 0.84 PTGDR2 (0.48) PTGDR2CETPTBXA2RPTGDRNR1I2
SCHEMBL531804 0.83 CETP (0.61) CETPNR1I2
SCHEMBL4214900 0.83 CETP (0.61) CETPNR1I2
SCHEMBL4214903 0.83 CETP (0.61) CETPNR1I2
SCHEMBL1058225 0.82 PTGDR2 (0.52) PTGDR2CETPTBXA2RPTGDR

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-8497381-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-07-30 US disclosed
US-8497381-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-07-30 US disclosed
US-20110021573-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-01-27 US disclosed
US-20110021573-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-01-27 US disclosed
WO-2009108720-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-09-03 WO 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-20110021573-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885CETP 3640/4885TBXA2R 10/4885

“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.