SCHEMBL4146013

SCHEMBL4146013

NC(=O)c1cc(CCCO)no1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.36
SCD O00767 2/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CA2 P00918 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
CYP4A11 Q02928 1/20 0.30
HIF1A Q16665 1/20 0.30
MAPT P10636 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
SCHEMBL4167072 0.81 CAPN1 (0.36) PPARASCDHCAR2
SCHEMBL2528074 0.81 PPARA (0.40) PPARAHCAR2MAPT
SCHEMBL30314694 0.77 HCAR2 (0.36) PPARASCDCHRNB2CHRNA4HCAR2
SCHEMBL12467073 0.77 EPHX2 (0.40) SCDHCAR2
SCHEMBL15273772 0.77 SCD (0.36) SCDHCAR2
SCHEMBL25180195 0.72 LMNA (0.36) SCDCHRNA4HCAR2
SCHEMBL30043569 0.72 POLB (0.41) SCDHCAR2
SCHEMBL15289890 0.72 KLKB1 (0.38) SCDHCAR2
SCHEMBL4146016 0.71 PPARA (0.41) PPARACHRNB2CHRNA4
SCHEMBL15964809 0.71 NR3C2 (0.48) CA2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131483-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE HANSEN PETER 2009-05-21 US disclosed
EP-1861370-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE AstraZeneca AB (SE) 2007-12-05 EP disclosed
WO-2006098683-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2006-09-21 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-20090131483-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE SERPINB1, ELANE, MPO PPARA 3705/4885SCD 3955/4885CHRNB2 1416/4885

“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.