SCHEMBL3596958

SCHEMBL3596958

CN(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 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
SERPINE1 P05121 1/20 0.36
GPBAR1 Q8TDU6 9/20 0.35
RXRA P19793 1/20 0.34
RXRG P48443 1/20 0.34
CTSK P43235 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
POLQ O75417 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

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
SCHEMBL3601631 0.91 L3MBTL1 (0.35) L3MBTL1SERPINE1GPBAR1RXRARXRG
SCHEMBL3605894 0.90 PTGDR2 (0.41) L3MBTL1SERPINE1GPBAR1RXRARXRG
SCHEMBL3596237 0.89 PTGDR2 (0.39) GPBAR1RXRARXRG
SCHEMBL3605220 0.88 PSEN1 (0.37) L3MBTL1SERPINE1GPBAR1RXRARXRG
SCHEMBL3594636 0.88 PTGDR2 (0.38) RXRARXRGCTSK
SCHEMBL4139396 0.87 RXRA (0.35) L3MBTL1GPBAR1RXRARXRG
SCHEMBL3593299 0.86 RXRA (0.34) GPBAR1RXRARXRGCTSK
SCHEMBL3593302 0.85 PTGDR2 (0.37) SERPINE1GPBAR1RXRARXRGCTSK
SCHEMBL3597872 0.85 RXRA (0.41) RXRARXRG
SCHEMBL3598990 0.85 ALDH1A1 (0.34)

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 L3MBTL1 4729/4885SERPINE1 2338/4885GPBAR1 295/4885

“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.