SCHEMBL2278477

SCHEMBL2278477

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(C(F)(F)F)cc2CSC(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.54
PTGDR2 Q9Y5Y4 13/20 0.41
TBXA2R P21731 4/20 0.41
PTGDR Q13258 4/20 0.41
FFAR1 O14842 1/20 0.40
FFAR2 O15552 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
DRD2 P14416 1/20 0.40
CYP2C9 P11712 2/20 0.40
PTGIR P43119 2/20 0.40
CETP P11597 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL2280648 0.88 CYP3A4 (0.68) CYP3A4PTGDR2TBXA2RPTGDRFFAR1
SCHEMBL2275749 0.88 PTGDR2 (0.41) CYP3A4PTGDR2TBXA2RPTGDRFFAR1
SCHEMBL1643088 0.87 PTGDR2 (0.44) CYP3A4PTGDR2TBXA2RPTGDRFFAR1
SCHEMBL2501971 0.86 PTGDR2 (0.54) CYP3A4PTGDR2TBXA2RPTGDRCYP2C9
SCHEMBL13521970 0.86 CYP3A4 (0.54) CYP3A4DRD2PPARA
SCHEMBL349485 0.86 CYP3A4 (0.55) CYP3A4DRD2PPARA
SCHEMBL349119 0.86 CYP3A4 (0.55) CYP3A4DRD2PPARA
SCHEMBL1644127 0.86 DRD2 (0.45) CYP3A4PTGDR2TBXA2RPTGDRFFAR1
SCHEMBL13761111 0.86 PTGDR2 (0.43) CYP3A4PTGDR2TBXA2RPTGDRFFAR1
SCHEMBL2279317 0.86 PPARG (0.51) CYP3A4PTGDR2TBXA2RPTGDRCYP2C9

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 3 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

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 CYP3A4 1367/4885PTGDR2 2/4885TBXA2R 9/4885

“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.