SCHEMBL3594052

SCHEMBL3594052

N#Cc1cn(CC(=O)O)cc1-c1cc(Cl)cc(S(=O)(=O)N2CCCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.40
TSHR P16473 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.38
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35

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 0.99 CNR1 (0.41) CNR1TSHRPTGDR2KMT2AALDH1A1
SCHEMBL3604717 0.90 PTGDR2 (0.40) CNR1PTGDR2KMT2AMEN1GAA
SCHEMBL3600846 0.87 GAA (0.43) CNR1TSHRKMT2AALDH1A1GAA
SCHEMBL4151537 0.86 KDM4E (0.47) CNR1TSHRPTGDR2ALDH1A1GAA
SCHEMBL3921517 0.86 CNR1 (0.41) CNR1TSHRALDH1A1
SCHEMBL3590430 0.85 CNR1 (0.41) CNR1TSHRPTGDR2KMT2AALDH1A1
SCHEMBL4163738 0.85 MEN1 (0.46) CNR1TSHRKMT2AALDH1A1MEN1
SCHEMBL3914248 0.85 CYP17A1 (0.41) CNR1CYP3A4CYP2C9
SCHEMBL3597643 0.84 CNR1 (0.39) CNR1PTGDR2KMT2AALDH1A1MEN1
SCHEMBL3922425 0.84 HPGD (0.32) PTGDR2

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 CNR1 77/4885TSHR 35/4885PTGDR2 18/4885

“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.