SCHEMBL20580495

SCHEMBL20580495

O=C1COc2c(F)cc(C(=O)O)cc2N1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
NR3C2 P08235 5/20 0.43
ALDH1A1 P00352 4/20 0.43
NR3C1 P04150 3/20 0.43
PGR P06401 3/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.36
HTR1A P08908 2/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
SLC6A4 P31645 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL4289205 0.87 NR3C2 (0.45) GAANR3C2ALDH1A1NR3C1PGR
SCHEMBL16792515 0.83 ALDH1A1 (0.44) GAANR3C2ALDH1A1NR3C1PGR
SCHEMBL4169081 0.83 ALDH1A1 (0.60) GAANR3C2ALDH1A1NR3C1PGR
SCHEMBL4286907 0.82 GAA (0.44) GAANR3C2ALDH1A1MAPTPKM
SCHEMBL705085 0.79 NR3C2 (0.50) NR3C2NR3C1PGRHTR1APDE3B
SCHEMBL4287760 0.79 ALDH1A1 (0.41) GAANR3C2ALDH1A1NR3C1PGR
SCHEMBL4286608 0.78 NR3C2 (0.46) NR3C2ALDH1A1NR3C1PGRMAPT
SCHEMBL21372202 0.76 NR3C2 (0.48) NR3C2NR3C1PGRHTR1AHTR1D
SCHEMBL21552373 0.76 PGR (0.45) NR3C2NR3C1PGRMAPTHTR1A
SCHEMBL12116980 0.76 PDE3B (0.53) NR3C2NR3C1PGRPKMHTR1A

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
US-20230183224-A1 BEZOXAZINE DERIVATIVES USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-06-15 US disclosed
EP-3724186-A1 BEZOXAZINE DERIVATIVES USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2020-10-21 EP disclosed
US-20200308158-A1 BEZOXAZINE DERIVATIVES USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-10-01 US disclosed
WO-2019115660-A1 BEZOXAZINE DERIVATIVES USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-06-20 WO disclosed
US-20180354919-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2018-12-13 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 (3 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-20230183224-A1 BEZOXAZINE DERIVATIVES USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS LPL, LIPC, PNLIP GAA 28/4885NR3C2 2686/4885ALDH1A1 800/4885
US-20200308158-A1 BEZOXAZINE DERIVATIVES USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS LPL, LIPC, PNLIP GAA 28/4885NR3C2 2686/4885ALDH1A1 800/4885
US-20180354919-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 GAA 741/4885NR3C2 580/4885ALDH1A1 1338/4885

“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.