SCHEMBL5758934

SCHEMBL5758934

CCOC(=O)c1cc(Br)c(CBr)n(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.48
CYP1A2 P05177 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 3/20 0.45
ELANE P08246 4/20 0.44
MAPT P10636 3/20 0.44
CYP3A4 P08684 2/20 0.44
APP P05067 1/20 0.44
ADORA1 P30542 1/20 0.44
NOTUM Q6P988 1/20 0.44
GSR P00390 1/20 0.43
KDM4E B2RXH2 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 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
SCHEMBL27644673 0.92 CYP2C9 (0.47) CYP2C9CYP1A2NPSR1CYP2C19ALDH1A1
SCHEMBL5759279 0.92 CYP2C9 (0.51) CYP2C9CYP1A2NPSR1CYP2C19ALDH1A1
SCHEMBL5758550 0.85 CYP2C9 (0.48) CYP2C9CYP1A2NPSR1CYP2C19ALDH1A1
SCHEMBL5757509 0.85 CYP2C9 (0.48) CYP2C9CYP1A2NPSR1CYP2C19ALDH1A1
SCHEMBL3051135 0.85 ALDH1A1 (0.53) NPSR1ALDH1A1MAPTKDM4ERXFP1
SCHEMBL27644675 0.84 CYP2C9 (0.47) CYP2C9CYP1A2NPSR1CYP2C19ALDH1A1
SCHEMBL4157201 0.81 CYP1A2 (0.52) CYP2C9CYP1A2NPSR1CYP2C19ALDH1A1
SCHEMBL560874 0.81 ELANE (0.57) CYP2C9CYP1A2NPSR1CYP2C19ALDH1A1
SCHEMBL21776585 0.81 CHRNA7 (0.47) CYP2C9CYP1A2NPSR1CYP2C19ALDH1A1
SCHEMBL561882 0.80 CYP1A2 (0.51) CYP2C9CYP1A2NPSR1CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562902-B1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2006-05-03 EP disclosed
US-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase ASRAZENECA AB (SE) 2006-02-16 US 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-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase SERPINB1, ELANE, SERPINE1 CYP2C9 1239/4885CYP1A2 388/4885NPSR1 1225/4885

“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.