SCHEMBL2280906

SCHEMBL2280906

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(C(F)(F)F)cc2CSCCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.47
PPARA Q07869 5/20 0.45
PPARG P37231 4/20 0.45
TBXA2R P21731 3/20 0.44
PTGDR Q13258 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44
PTGIR P43119 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FFAR1 O14842 1/20 0.41
FFAR2 O15552 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ALOX5 P09917 1/20 0.41
PPARD Q03181 1/20 0.41

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
SCHEMBL2283553 0.90 PTGDR2 (0.57) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL2279317 0.88 PPARG (0.51) PTGDR2PPARAPPARGTBXA2RPTGDR
SCHEMBL2275749 0.87 PTGDR2 (0.41) PTGDR2PPARATBXA2RPTGDRCYP3A4
SCHEMBL2278477 0.84 CYP3A4 (0.54) PTGDR2PPARATBXA2RPTGDRCYP3A4
SCHEMBL1058954 0.84 PTGDR2 (0.52) PTGDR2PPARATBXA2RPTGDRCYP3A4
SCHEMBL1643088 0.83 PTGDR2 (0.44) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1943439 0.82 PTGDR2 (0.55) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1644127 0.82 DRD2 (0.45) PTGDR2PPARATBXA2RPTGDRCYP3A4
SCHEMBL13761111 0.82 PTGDR2 (0.43) PTGDR2PPARATBXA2RPTGDRCYP3A4
SCHEMBL1008769 0.82 PTGDR2 (0.66) 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 4 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 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 2/4885PPARA 86/4885PPARG 24/4885

“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.