SCHEMBL1010903

SCHEMBL1010903

COc1ccc(S(=O)(=O)N(C)Cc2cc(C(F)(F)F)ccc2Oc2cccc(CC(=O)O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.53
TBXA2R P21731 3/20 0.47
PTGDR Q13258 3/20 0.47
TAS2R14 Q9NYV8 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
PTGIR P43119 1/20 0.45
BMP1 P13497 1/20 0.44
MMP1 P03956 2/20 0.43
MMP9 P14780 2/20 0.43
MMP13 P45452 2/20 0.43

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
SCHEMBL1008968 0.92 PTGDR2 (0.52) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1011260 0.92 PTGDR2 (0.46) PTGDR2TBXA2RPTGDRTAS2R14BMP1
SCHEMBL1946754 0.91 PTGDR2 (0.51) PTGDR2TBXA2RPTGDRTAS2R14CYP3A4
SCHEMBL1008758 0.85 PTGDR2 (0.47) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1944279 0.83 BMP1 (0.47) PTGDR2TAS2R14BMP1MMP1MMP9
SCHEMBL1009501 0.82 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1062726 0.82 PTGDR2 (0.48) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1009085 0.82 PTGDR2 (0.47) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL13580796 0.82 PTGDR2 (0.47) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1009159 0.81 PTGDR2 (0.51) PTGDR2TBXA2RPTGDRTAS2R14CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426449-B2 Aminoalkylphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-04-23 US claimed
US-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-06-02 US claimed
EP-2268611-A2 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-01-05 EP claimed
WO-2009145989-A2 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-12-03 WO claimed
US-8426449-B2 Aminoalkylphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-04-23 US disclosed
US-8426449-B2 Aminoalkylphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-04-23 US disclosed
US-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-06-02 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-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885TBXA2R 7/4885PTGDR 1/4885

“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.