SCHEMBL3605894

SCHEMBL3605894

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
XBP1 P17861 1/20 0.36
PAX8 Q06710 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HDAC8 Q9BY41 1/20 0.34
SERPINE1 P05121 2/20 0.33
RXRA P19793 1/20 0.33
RXRG P48443 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33

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) PTGDR2L3MBTL1HDAC8SERPINE1RXRA
SCHEMBL3596958 0.90 L3MBTL1 (0.36) L3MBTL1SERPINE1RXRARXRGPSEN1
SCHEMBL3594636 0.88 PTGDR2 (0.38) PTGDR2RXRARXRGCTSK
SCHEMBL3596237 0.87 PTGDR2 (0.39) PTGDR2RXRARXRGGPBAR1
SCHEMBL3605220 0.86 PSEN1 (0.37) SMN1; SMN2USP2MAPTHTTNPSR1
SCHEMBL3593302 0.85 PTGDR2 (0.37) PTGDR2LMNASERPINE1RXRARXRG
SCHEMBL4139396 0.85 RXRA (0.35) PTGDR2L3MBTL1RXRARXRGGPBAR1
SCHEMBL3593299 0.84 RXRA (0.34) PTGDR2GAARXRARXRGCTSK
SCHEMBL3588945 0.84 PSEN1 (0.34) PTGDR2RXRARXRGPSEN1PSEN2
SCHEMBL3597872 0.83 RXRA (0.41) PTGDR2RXRARXRG

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 PTGDR2 18/4885SMN1; SMN2 4029/4885USP2 3653/4885

“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.