SCHEMBL2452143

SCHEMBL2452143

COc1nc(NCCc2ccc(OC(F)(F)F)cc2)cc(N2CCC[C@@H](CC(=O)O)C2)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 8/20 0.45
IDH1 O75874 6/20 0.42
IGF1R P08069 1/20 0.41
ALK Q9UM73 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
HSD11B1 P28845 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL14354347 1.00 PTGDR (0.45) PTGDRIDH1IGF1RALKGPBAR1
SCHEMBL12331083 1.00 PTGDR (0.45) PTGDRIDH1IGF1RALKGPBAR1
SCHEMBL2448896 1.00 PTGDR (0.45) PTGDRIDH1IGF1RALKGPBAR1
SCHEMBL2450912 0.95 PTGDR (0.47) PTGDRIGF1RALKGPBAR1FFAR4
SCHEMBL2450906 0.95 PTGDR (0.47) PTGDRIGF1RALKGPBAR1FFAR4
SCHEMBL12331288 0.95 PTGDR (0.44) PTGDRIDH1GPBAR1HSD11B1KDM4E
SCHEMBL12330775 0.94 PTGDR (0.43) PTGDRIGF1RALKGPBAR1KDM4E
SCHEMBL12330969 0.91 PTGDR (0.42) PTGDRIGF1RALKGPBAR1KDM4E
SCHEMBL2444934 0.91 PTGDR (0.41) PTGDRIGF1RALKGPBAR1KDM4E
SCHEMBL12330776 0.91 PTGDR (0.42) PTGDRIGF1RALKGPBAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547673-A1 A SUBSTITUTED PYRIMIDINE AS A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST Aventis Pharmaceuticals Inc. (US) 2013-01-23 EP disclosed
US-20130005741-A1 SUBSTITUTED PYRIMIDINE AS A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST AVENTIS PHARMACEUTICALS INC. (US) 2013-01-03 US disclosed
US-20130005741-A1 SUBSTITUTED PYRIMIDINE AS A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST AVENTIS PHARMACEUTICALS INC. (US) 2013-01-03 US disclosed
US-20130005741-A1 SUBSTITUTED PYRIMIDINE AS A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST AVENTIS PHARMACEUTICALS INC. (US) 2013-01-03 US disclosed
WO-2011115943-A1 A SUBSTITUTED PYRIMIDINE AS A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST AVENTIS PHARMACEUTICALS INC. (US) 2011-09-22 WO disclosed
WO-2011115943-A1 A SUBSTITUTED PYRIMIDINE AS A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST AVENTIS PHARMACEUTICALS INC. (US) 2011-09-22 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-20130005741-A1 SUBSTITUTED PYRIMIDINE AS A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST PTGDR2, PTGDR, PTGER2 PTGDR 2/4885IDH1 809/4885IGF1R 3457/4885

“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.