SCHEMBL4157069

SCHEMBL4157069

C=Cc1cc(C(=O)OCC)c(=O)n(-c2cccc(C(F)(F)F)c2)c1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
NOTUM Q6P988 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.44
APP P05067 1/20 0.44
ADORA1 P30542 1/20 0.44
GSR P00390 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ELANE P08246 3/20 0.42
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL27725852 0.86 NOTUM (0.60) CYP1A2NOTUMLMNAMAPTGSR
SCHEMBL4157201 0.85 CYP1A2 (0.52) CYP1A2NPSR1CYP2C9CYP2C19NOTUM
SCHEMBL561882 0.84 CYP1A2 (0.51) CYP1A2NPSR1CYP2C9CYP2C19NOTUM
SCHEMBL560905 0.82 NOTUM (0.49) CYP1A2NPSR1CYP2C9CYP2C19NOTUM
SCHEMBL4021797 0.82 NOTUM (0.49) CYP1A2NPSR1CYP2C9CYP2C19NOTUM
SCHEMBL560874 0.81 ELANE (0.57) CYP1A2NPSR1CYP2C9CYP2C19NOTUM
SCHEMBL5758550 0.79 CYP2C9 (0.48) CYP1A2NPSR1CYP2C9CYP2C19NOTUM
SCHEMBL5758934 0.78 CYP2C9 (0.48) CYP1A2NPSR1CYP2C9CYP2C19NOTUM
SCHEMBL5759279 0.78 CYP2C9 (0.51) CYP1A2NPSR1CYP2C9CYP2C19NOTUM
SCHEMBL986660 0.77 CYP2C9 (0.44) CYP1A2NPSR1CYP2C9CYP2C19NOTUM

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 CYP1A2 388/4885NPSR1 768/4885CYP2C9 522/4885

“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.