SCHEMBL3593299

SCHEMBL3593299

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.34
RXRG P48443 1/20 0.34
GABRA2 P47869 1/20 0.32
GCK P35557 1/20 0.32
F11 P03951 1/20 0.32
XDH P47989 3/20 0.32
CTSL P07711 1/20 0.32
CTSA P10619 1/20 0.31
AKR1C3 P42330 2/20 0.31
AKR1C2 P52895 2/20 0.31
CTSK P43235 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL3596237 0.89 PTGDR2 (0.39) RXRARXRGXDHCTSAGPBAR1
SCHEMBL3594636 0.88 PTGDR2 (0.38) RXRARXRGXDHAKR1C3AKR1C2
SCHEMBL4139396 0.87 RXRA (0.35) RXRARXRGXDHGPBAR1PTGDR2
SCHEMBL3596958 0.86 L3MBTL1 (0.36) RXRARXRGCTSKGPBAR1
SCHEMBL3593302 0.85 PTGDR2 (0.37) RXRARXRGXDHAKR1C3AKR1C2
SCHEMBL3597872 0.85 RXRA (0.41) RXRARXRGXDHAKR1C3AKR1C2
SCHEMBL3605894 0.84 PTGDR2 (0.41) RXRARXRGCTSKGPBAR1GAA
SCHEMBL3601631 0.83 L3MBTL1 (0.35) RXRARXRGCTSKGPBAR1PTGDR2
SCHEMBL3588945 0.83 PSEN1 (0.34) RXRARXRGXDHCTSKGPBAR1
SCHEMBL3602747 0.83 IDH2 (0.33) 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 RXRA 426/4885RXRG 377/4885GABRA2 474/4885

“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.