SCHEMBL5215313

SCHEMBL5215313

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 7/20 0.37
ADRB2 P07550 7/20 0.37
IL4I1 Q96RQ9 1/20 0.36
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ADRB1 P08588 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PGR P06401 4/20 0.36
NR3C1 P04150 3/20 0.36
MMP12 P39900 1/20 0.36
TSHR P16473 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
SCHEMBL13424803 0.86 PARP1 (0.47) NR3C2ADRB2IL4I1PARP1ADRB1
SCHEMBL8201338 0.85 NR3C2 (0.37) NR3C2ADRB2IL4I1PARP1ALDH1A1
SCHEMBL13181783 0.81 PARP1 (0.37) NR3C2ADRB2IL4I1PARP1ALDH1A1
SCHEMBL14080051 0.81 IL4I1 (0.39) NR3C2ADRB2IL4I1PARP1MAPT
SCHEMBL13424831 0.76 MMP12 (0.45) NR3C2PARP1MAPTPDE3BPDE3A
SCHEMBL8191716 0.76 PDE3B (0.41) NR3C2ADRB2IL4I1PARP1ALDH1A1
SCHEMBL5217579 0.76 GAA (0.44) NR3C2ADRB2ALDH1A1MAPTPDE3B
SCHEMBL5343358 0.76 HTR1A (0.44) NR3C2ADRB2IL4I1PARP1ADRB1
SCHEMBL5251708 0.76 NR3C2 (0.51) NR3C2PARP1ALDH1A1MAPTADRB1
SCHEMBL8197296 0.74 BRD4 (0.39) NR3C2ADRB2PARP1ADRB1

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 NR3C2 5/4885ADRB2 82/4885IL4I1 877/4885

“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.