SCHEMBL3588945

SCHEMBL3588945

CCCCS(=O)(=O)c1cc(-c2cn(CC(=O)O)cc2C#N)cc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
CTSK P43235 4/20 0.33
PTGDR2 Q9Y5Y4 4/20 0.33
RXRA P19793 1/20 0.32
RXRG P48443 1/20 0.32
GPBAR1 Q8TDU6 2/20 0.32
KCNH2 Q12809 3/20 0.31
CTSS P25774 1/20 0.31
XDH P47989 1/20 0.30
AKR1B1 P15121 1/20 0.30

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
SCHEMBL3593302 0.94 PTGDR2 (0.37) CTSKPTGDR2RXRARXRGGPBAR1
SCHEMBL3594636 0.91 PTGDR2 (0.38) CTSKPTGDR2RXRARXRGXDH
SCHEMBL3600834 0.90 GPBAR1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3602959 0.86 IDH2 (0.38)
SCHEMBL3596237 0.86 PTGDR2 (0.39) PTGDR2RXRARXRGGPBAR1XDH
SCHEMBL3605220 0.85 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4139396 0.84 RXRA (0.35) PTGDR2RXRARXRGGPBAR1XDH
SCHEMBL3605894 0.84 PTGDR2 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3593299 0.83 RXRA (0.34) CTSKPTGDR2RXRARXRGGPBAR1
SCHEMBL3596958 0.83 L3MBTL1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A

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 PSEN1 4103/4885PSEN2 2881/4885APH1B 2724/4885

“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.