SCHEMBL3597872

SCHEMBL3597872

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.41
RXRG P48443 5/20 0.41
RXRB P28702 4/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.36
CES2 O00748 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
XDH P47989 2/20 0.35
STAT3 P40763 1/20 0.35

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
SCHEMBL3602132 0.93 RXRA (0.44) RXRARXRGRXRBPTGDR2
SCHEMBL3593876 0.93 RXRA (0.52) RXRARXRGRXRBPTGDR2XDH
SCHEMBL3593291 0.92 RXRA (0.38) RXRARXRGRXRBPTGDR2XDH
SCHEMBL3605853 0.92 RXRA (0.38) RXRARXRGRXRBPTGDR2
SCHEMBL3596946 0.89 RXRA (0.46) RXRARXRGRXRBPTGDR2
SCHEMBL3604529 0.88 XDH (0.48) PTGDR2XDH
SCHEMBL4386221 0.88 PTGDR2 (0.39) RXRARXRGRXRBPTGDR2AKR1C3
SCHEMBL3596237 0.88 PTGDR2 (0.39) RXRARXRGPTGDR2XDH
SCHEMBL4139396 0.88 RXRA (0.35) RXRARXRGRXRBPTGDR2XDH
SCHEMBL3603924 0.87 XDH (0.44) RXRARXRGRXRBPTGDR2XDH

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 4 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
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

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 377/4885RXRB 379/4885

“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.