SCHEMBL4258401

SCHEMBL4258401

O=C1COc2cc(F)c(-c3cccc(Cl)c3)cc2N1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.48
NR3C2 P08235 6/20 0.47
PGR P06401 2/20 0.47
MAPT P10636 3/20 0.44
RAF1 P04049 2/20 0.44
TRPV1 Q8NER1 1/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
TP53 P04637 1/20 0.42
MMP12 P39900 1/20 0.42
BRAF P15056 1/20 0.41
GRM5 P41594 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
SCHEMBL4261573 0.85 NR3C2 (0.59) NR3C2PGRMAPTRAF1TRPV1
SCHEMBL4257240 0.80 NR3C2 (0.57) NR3C2PGRMAPT
SCHEMBL4270958 0.79 BRD4 (0.49) ACLYNR3C2PGRRAF1CYP11B1
SCHEMBL4264623 0.78 MMP12 (0.58) NR3C2PGRMAPTMMP12
SCHEMBL12067736 0.75 ACLY (0.49) ACLYNR3C2MAPTTP53MMP12
SCHEMBL30557601 0.75 ACLY (0.49) ACLYNR3C2MAPTTP53MMP12
SCHEMBL4259454 0.75 PDE3B (0.49) NR3C2PGRMAPTMMP12
SCHEMBL4049030 0.74 MMP12 (0.54) NR3C2PGRMAPTTRPV1CYP11B1
SCHEMBL4261319 0.74 PKM (0.50) NR3C2PGRMAPTRAF1TP53
SCHEMBL25357979 0.74 MMP12 (0.45) NR3C2PGRMAPTTRPV1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US claimed
JP-2008508314-A 2008-03-21 JP claimed
EP-1778242-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2007-05-02 EP claimed
WO-2006015259-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2006-02-09 WO claimed
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US disclosed
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 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-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS NR5A1, ESRRA, NR3C1 ACLY 1669/4885NR3C2 7/4885PGR 46/4885

“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.