SCHEMBL4147076

SCHEMBL4147076

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 6/20 0.51
GPBAR1 Q8TDU6 8/20 0.48
ALK Q9UM73 4/20 0.47
IGF1R P08069 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ERG P11308 4/20 0.44
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.42
ROS1 P08922 3/20 0.42

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
SCHEMBL2449639 0.95 PTGDR (0.57) PTGDRGPBAR1ALKIGF1RKDM4E
SCHEMBL4158169 0.89 ALK (0.47) PTGDRGPBAR1ALKIGF1RKDM4E
SCHEMBL14354347 0.89 PTGDR (0.45) PTGDRGPBAR1ALKIGF1RKDM4E
SCHEMBL2452143 0.89 PTGDR (0.45) PTGDRGPBAR1ALKIGF1RKDM4E
SCHEMBL12331083 0.89 PTGDR (0.45) PTGDRGPBAR1ALKIGF1RKDM4E
SCHEMBL2448896 0.89 PTGDR (0.45) PTGDRGPBAR1ALKIGF1RKDM4E
SCHEMBL4142602 0.88 PTGDR (0.44) PTGDRGPBAR1ALKIGF1RKDM4E
SCHEMBL12330775 0.87 PTGDR (0.43) PTGDRGPBAR1ALKIGF1RKDM4E
SCHEMBL2450912 0.85 PTGDR (0.47) PTGDRGPBAR1ALKIGF1R
SCHEMBL2450906 0.85 PTGDR (0.47) PTGDRGPBAR1ALKIGF1R

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 8 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-20130005741-A1 SUBSTITUTED PYRIMIDINE AS A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST AVENTIS PHARMACEUTICALS INC. (US) 2013-01-03 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
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
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 (2 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 2/4885GPBAR1 77/4885ALK 2629/4885
US-20130005741-A1 SUBSTITUTED PYRIMIDINE AS A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST PTGDR2, PTGDR, PTGER2 PTGDR 2/4885GPBAR1 84/4885ALK 1285/4885

“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.