SCHEMBL3605853

SCHEMBL3605853

N#Cc1cn(CC(=O)O)cc1-c1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.38
RXRG P48443 4/20 0.38
FFAR4 Q5NUL3 2/20 0.38
RXRB P28702 3/20 0.34
EIF4EBP1 Q13541 3/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
CTSA P10619 1/20 0.33
F11 P03951 1/20 0.33

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
SCHEMBL3597872 0.92 RXRA (0.41) RXRARXRGRXRBPTGDR2
SCHEMBL3598133 0.88 STAT3 (0.37) RXRARXRGRXRBPTGDR2CTSA
SCHEMBL3602132 0.87 RXRA (0.44) RXRARXRGRXRBPTGDR2
SCHEMBL3593876 0.87 RXRA (0.52) RXRARXRGRXRBPTGDR2
SCHEMBL3593291 0.86 RXRA (0.38) RXRARXRGRXRBPTGDR2
SCHEMBL4139396 0.84 RXRA (0.35) RXRARXRGRXRBPTGDR2
SCHEMBL3596946 0.83 RXRA (0.46) RXRARXRGRXRBPTGDR2
SCHEMBL3593248 0.83 ADRA1D (0.37) RXRARXRGRXRBPTGDR2CTSA
SCHEMBL3604529 0.82 XDH (0.48) PTGDR2
SCHEMBL4386221 0.82 PTGDR2 (0.39) RXRARXRGRXRBPTGDR2

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-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2010-04-08 US claimed
EP-1828172-B1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2009-11-25 EP claimed
EP-1828172-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 2007-09-05 EP claimed
WO-2006063763-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2006-06-22 WO claimed
US-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2010-04-08 US disclosed
EP-1828172-B1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2009-11-25 EP disclosed
EP-1828172-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 2007-09-05 EP disclosed
WO-2006063763-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2006-06-22 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-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY PRLHR, AVPR2, CRHR2 RXRA 426/4885RXRG 377/4885FFAR4 579/4885

“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.