SCHEMBL3602747

SCHEMBL3602747

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 5/20 0.33
STS P08842 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
RXRA P19793 1/20 0.32
RXRG P48443 1/20 0.32
ERBB2 P04626 1/20 0.31
ERBB4 Q15303 1/20 0.31
FEN1 P39748 1/20 0.31
DDR1 Q08345 2/20 0.31
AR P10275 2/20 0.30
ACLY P53396 2/20 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
SCHEMBL3602959 0.87 IDH2 (0.38) IDH2ERBB2ERBB4
SCHEMBL3596237 0.85 PTGDR2 (0.39) RXRARXRG
SCHEMBL3594636 0.84 PTGDR2 (0.38) RXRARXRGDDR1
SCHEMBL3593302 0.84 PTGDR2 (0.37) RXRARXRGDDR1
SCHEMBL4139396 0.83 RXRA (0.35) RXRARXRG
SCHEMBL4155548 0.83 NPC1 (0.37) ACLY
SCHEMBL3593299 0.83 RXRA (0.34) RXRARXRG
SCHEMBL3596958 0.83 L3MBTL1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3597052 0.82 IDH2 (0.36) IDH2STS
SCHEMBL3597872 0.82 RXRA (0.41) RXRARXRG

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 IDH2 1168/4885STS 1766/4885PSEN1 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.