SCHEMBL3603924

SCHEMBL3603924

N#Cc1cn(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
RXRA P19793 2/20 0.40
RXRG P48443 2/20 0.40
RXRB P28702 1/20 0.40
KIF11 P52732 1/20 0.40
PTPN5 P54829 1/20 0.39
ELANE P08246 1/20 0.37
STAT3 P40763 1/20 0.37
CYP2C8 P10632 1/20 0.37

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 0.87 RXRA (0.41) XDHPTGDR2RXRARXRGRXRB
SCHEMBL3604529 0.85 XDH (0.48) XDHPTGDR2
SCHEMBL3596755 0.85 ALDH1A1 (0.40) STAT3
SCHEMBL3596946 0.84 RXRA (0.46) PTGDR2RXRARXRGRXRB
SCHEMBL3609673 0.84 PTGDR2 (0.41) PTGDR2RXRARXRGRXRB
SCHEMBL3595050 0.83 STAT3 (0.49) STAT3
SCHEMBL3593876 0.83 RXRA (0.52) XDHPTGDR2RXRARXRGRXRB
SCHEMBL3602132 0.83 RXRA (0.44) PTGDR2RXRARXRGRXRB
SCHEMBL3596433 0.82 XDH (0.41) XDHPTGDR2STAT3
SCHEMBL3600398 0.82 PTGDR2 (0.40) PTGDR2

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 XDH 1450/4885PTGDR2 18/4885PSEN1 4103/4885

“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.