SCHEMBL4142602

SCHEMBL4142602

COc1nc(NCCc2ccc(OC(F)(F)F)cc2)cc(N2CCCC(C(C)(C)C(=O)O)C2)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 10/20 0.44
CNR2 P34972 2/20 0.41
IGF1R P08069 1/20 0.41
ALK Q9UM73 1/20 0.41
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GPBAR1 Q8TDU6 4/20 0.39
GALR2 O43603 1/20 0.38
ERG P11308 1/20 0.38
CYP2C9 P11712 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
SCHEMBL4147076 0.88 PTGDR (0.51) PTGDRIGF1RALKKDM4EGPBAR1
SCHEMBL2452143 0.87 PTGDR (0.45) PTGDRCNR2IGF1RALKHSD11B1
SCHEMBL12331083 0.87 PTGDR (0.45) PTGDRCNR2IGF1RALKHSD11B1
SCHEMBL14354347 0.87 PTGDR (0.45) PTGDRCNR2IGF1RALKHSD11B1
SCHEMBL2448896 0.87 PTGDR (0.45) PTGDRCNR2IGF1RALKHSD11B1
SCHEMBL12330775 0.85 PTGDR (0.43) PTGDRCNR2IGF1RALKKDM4E
SCHEMBL2449639 0.85 PTGDR (0.57) PTGDRCNR2IGF1RALKKDM4E
SCHEMBL2450906 0.83 PTGDR (0.47) PTGDRCNR2IGF1RALKGPBAR1
SCHEMBL2450912 0.83 PTGDR (0.47) PTGDRCNR2IGF1RALKGPBAR1
SCHEMBL12331288 0.83 PTGDR (0.44) PTGDRHSD11B1KDM4EGPBAR1

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
US-20090036469-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTED AMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2009-02-05 US claimed
WO-2008039882-A1 A COMBINATION OF NIACIN AND A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST SANOFI-AVENTIS U.S. LLC (US) 2008-04-03 WO claimed
US-20090036469-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTED AMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2009-02-05 US disclosed
US-20090036469-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTED AMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2009-02-05 US disclosed
US-20090036469-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTED AMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2009-02-05 US disclosed
WO-2008039882-A1 A COMBINATION OF NIACIN AND A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST SANOFI-AVENTIS U.S. LLC (US) 2008-04-03 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-20090036469-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTED AMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGDR2, PTGDR, PTGER2 PTGDR 2/4885CNR2 23/4885IGF1R 3438/4885

“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.