SCHEMBL3604717

SCHEMBL3604717

N#Cc1cn(CC(=O)O)cc1-c1cc(Cl)cc(S(=O)(=O)N2CCOCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.40
CNR1 P21554 2/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
THRB P10828 1/20 0.37
CASP1 P29466 1/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36
APEX1 P27695 1/20 0.36
ALB P02768 2/20 0.36

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
SCHEMBL3607836 0.91 CNR1 (0.41) PTGDR2CNR1LMNAMEN1MAPT
SCHEMBL3594052 0.90 CNR1 (0.40) PTGDR2CNR1GAALMNAMEN1
SCHEMBL3605409 0.86 EPHX2 (0.40) CNR1GAALMNAL3MBTL1ATM
SCHEMBL3600846 0.85 GAA (0.43) CNR1GAALMNAL3MBTL1MAPT
SCHEMBL3914248 0.85 CYP17A1 (0.41) CNR1
SCHEMBL3921517 0.84 CNR1 (0.41) CNR1
SCHEMBL4151537 0.84 KDM4E (0.47) PTGDR2CNR1GAALMNA
SCHEMBL4163738 0.84 MEN1 (0.46) CNR1GAALMNAMEN1MAPT
SCHEMBL3922425 0.82 HPGD (0.32) PTGDR2
SCHEMBL3917626 0.82 LSS (0.46) PTGDR2CNR1GAALMNAMEN1

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 5 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
US-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2010-04-08 US 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 18/4885CNR1 77/4885GAA 3936/4885

“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.