SCHEMBL5217579

SCHEMBL5217579

O=C1COc2c(cc(C(=O)O)c(F)c2F)N1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
PKM P14618 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
NR3C2 P08235 6/20 0.36
PGR P06401 4/20 0.36
NR3C1 P04150 3/20 0.36
MMP12 P39900 1/20 0.36
ADRB2 P07550 5/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL3327669 0.83 NR3C2 (0.37) ALDH1A1MAPTPDE3BPDE3ASMYD3
SCHEMBL8191716 0.76 PDE3B (0.41) KMT2AALDH1A1PDE3BPDE3ANR3C2
SCHEMBL13424831 0.76 MMP12 (0.45) MAPTPKMPDE3BPDE3ANR3C2
SCHEMBL7291865 0.76 PDE3B (0.50) GAAKMT2AALDH1A1MAPTPKM
SCHEMBL20580495 0.76 GAA (0.44) GAAKMT2AALDH1A1MAPTPKM
SCHEMBL7281256 0.76 GAA (0.44) GAAKMT2AALDH1A1MAPTPKM
SCHEMBL5215313 0.76 NR3C2 (0.37) ALDH1A1MAPTPDE3BPDE3ANR3C2
SCHEMBL5257024 0.76 GAA (0.53) GAAKMT2AALDH1A1MAPTPKM
SCHEMBL23590875 0.75 NR3C2 (0.38) ALDH1A1MAPTPKMPDE3BPDE3A
SCHEMBL30183935 0.74 PDE3B (0.36) ALDH1A1MAPTPDE3BPDE3ASMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330460-B1 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2007-03-21 EP disclosed
US-6939871-B2 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C. (GB) 2005-09-06 US disclosed
US-20040063704-A1 Benzoxazinone derivatives, their preparation and use SMITHKLINE BEECHAM P.L.C (GB) 2004-04-01 US disclosed
EP-1330460-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2003-07-30 EP disclosed
WO-2002034754-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-02 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-20040063704-A1 Benzoxazinone derivatives, their preparation and use CYP2B6, CBR1, CYP2A6 GAA 3554/4885KMT2A 2934/4885ALDH1A1 1181/4885

“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.