SCHEMBL3611256

SCHEMBL3611256

CN(CCO)S(=O)(=O)c1cc(Cl)cc(-c2cn(CC(=O)O)cc2C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 1/20 0.34
ACLY P53396 1/20 0.33
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.31
PTGDR2 Q9Y5Y4 3/20 0.31
CTSA P10619 1/20 0.31
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31
AURKB Q96GD4 1/20 0.31
AURKAIP1 Q9NWT8 1/20 0.31
GSTO1 P78417 1/20 0.31
NEK1 Q96PY6 1/20 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
SCHEMBL3598990 0.89 ALDH1A1 (0.34) KMT2AKDM4EALDH1A1MEN1ACLY
SCHEMBL4162423 0.88 HDAC3 (0.39) KMT2AKDM4EALDH1A1MEN1ACLY
SCHEMBL3600549 0.83 RORC (0.36) HPGDPTGDR2CTSA
SCHEMBL3922425 0.82 HPGD (0.32) HPGDPTGDR2CTSA
SCHEMBL3598133 0.80 STAT3 (0.37) HPGDPTGDR2CTSA
SCHEMBL3607836 0.77 CNR1 (0.41) KMT2AALDH1A1MEN1MAPTPTGDR2
SCHEMBL3605220 0.77 PSEN1 (0.37) KMT2AKDM4EMEN1MAPTGAA
SCHEMBL3594052 0.77 CNR1 (0.40) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL3601631 0.76 L3MBTL1 (0.35) PTGDR2
SCHEMBL3593248 0.76 ADRA1D (0.37) HPGDPTGDR2CTSA

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 7 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
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 KMT2A 2130/4885KDM4E 2754/4885ALDH1A1 3117/4885

“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.