SCHEMBL2280449

SCHEMBL2280449

COc1ccc(CC(=O)O)cc1Oc1ccc(C(F)(F)F)cc1C[S+]([O-])C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.48
TBXA2R P21731 5/20 0.48
PTGDR Q13258 5/20 0.48
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 2/20 0.45
PTGIR P43119 2/20 0.45
FFAR1 O14842 1/20 0.43
FFAR2 O15552 1/20 0.43
FFAR4 Q5NUL3 1/20 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
SCHEMBL2507813 0.88 PTGDR2 (0.63) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL2285931 0.86 PTGDR2 (0.50) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL13521853 0.85 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL2279306 0.84 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL2280648 0.82 CYP3A4 (0.68) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL349853 0.82 CYP3A4 (0.70) PTGDR2CYP3A4CYP2C9
SCHEMBL2281493 0.81 PTGDR2 (0.49) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3264240 0.79 CYP3A4 (0.45) PTGDR2TBXA2RPTGDRCYP3A4
SCHEMBL2279327 0.79 CYP3A4 (0.52) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL2275833 0.78 PTGDR2 (0.52) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9

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-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US claimed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 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-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885TBXA2R 9/4885PTGDR 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.