SCHEMBL3593248

SCHEMBL3593248

N#Cc1cc(Cl)cc(-c2cn(CC(=O)O)cc2C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
STAT3 P40763 1/20 0.34
HPGD P15428 1/20 0.34
CTSA P10619 1/20 0.33
GRM5 P41594 1/20 0.32

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
SCHEMBL3598133 0.92 STAT3 (0.37) PTGDR2RXRARXRBRXRGSTAT3
SCHEMBL3922425 0.83 HPGD (0.32) PTGDR2STAT3HPGDCTSA
SCHEMBL3605853 0.83 RXRA (0.38) PTGDR2RXRARXRBRXRGCTSA
SCHEMBL3595712 0.82 KDM4E (0.45) PTGDR2HPGD
SCHEMBL3593876 0.81 RXRA (0.52) PTGDR2RXRARXRBRXRGSTAT3
SCHEMBL3596433 0.81 XDH (0.41) PTGDR2STAT3HPGD
SCHEMBL3600549 0.81 RORC (0.36) PTGDR2HPGDCTSA
SCHEMBL3606031 0.81 PTGDR2 (0.46) PTGDR2STAT3
SCHEMBL3598990 0.79 ALDH1A1 (0.34) PTGDR2HPGDCTSA
SCHEMBL3599827 0.79 STAT3 (0.37) STAT3CTSA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ADRA1D 264/4885PTGDR2 18/4885RXRA 426/4885

“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.