SCHEMBL4599326

SCHEMBL4599326

CC(C)(C)c1cc(CC(=O)N2CC(O)C2)cc(C(C)(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 9/20 0.50
GAA P10253 7/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
BLM P54132 2/20 0.42
ATM Q13315 2/20 0.42
HIF1A Q16665 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 1/20 0.42
CYP2D6 P10635 1/20 0.42
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
PKM P14618 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
SCHEMBL8604372 0.79 GAA (0.55) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL4598135 0.77 HSP90AA1 (0.52) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL4598899 0.75 ALDH1A1 (0.72) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL8608641 0.72 GAA (0.54) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL9194052 0.72 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL2774409 0.72 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL38555 0.72 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL6965645 0.71 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1GAAKDM4E
Ammonia Solution, Strong SCHEMBL3948778 0.71 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL9519034 0.71 GAA (0.54) KMT2AMEN1ALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727793-B1 SUBSTITUTED AZETIDINE COMPOUNDS AS CYCLOOXYGENASE-1 - CYCLOOXYGENASE-2 INHIBITORS, AND THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2008-04-09 EP claimed
US-20070093469-A1 Substituted azetidine compounds as cyclooxygenase-1-cyclooxygenase-2 inhibitors, and their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A (ES) 2007-04-26 US claimed
EP-1727793-A1 SUBSTITUTED AZETIDINE COMPOUNDS AS CYCLOOXYGENASE-1 - CYCLOOXYGENASE-2 INHIBITORS, AND THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-12-06 EP claimed
WO-2005077896-A1 SUBSTITUTED AZETIDINE COMPOUNDS AS CYCLOOXYGENASE-1-CYCLOOXYGENASE-2 INHIBITORS, AND THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-08-25 WO claimed
US-20050182041-A1 Substituted Azetidine compounds, their preparation and use as medicaments LABORATOIOS DE DR. ESTEVE S.A. (ES) 2005-08-18 US claimed
EP-1727793-B1 SUBSTITUTED AZETIDINE COMPOUNDS AS CYCLOOXYGENASE-1 - CYCLOOXYGENASE-2 INHIBITORS, AND THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2008-04-09 EP disclosed
US-7232812-B2 Substituted azetidine compounds, their preparation and use as medicaments LABORATORIOS DE DR. ESTEVE S.A. (ES) 2007-06-19 US disclosed
US-20070093469-A1 Substituted azetidine compounds as cyclooxygenase-1-cyclooxygenase-2 inhibitors, and their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A (ES) 2007-04-26 US disclosed
EP-1727793-A1 SUBSTITUTED AZETIDINE COMPOUNDS AS CYCLOOXYGENASE-1 - CYCLOOXYGENASE-2 INHIBITORS, AND THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-12-06 EP disclosed
WO-2005077896-A1 SUBSTITUTED AZETIDINE COMPOUNDS AS CYCLOOXYGENASE-1-CYCLOOXYGENASE-2 INHIBITORS, AND THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-08-25 WO disclosed
US-20050182041-A1 Substituted Azetidine compounds, their preparation and use as medicaments LABORATOIOS DE DR. ESTEVE S.A. (ES) 2005-08-18 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 (2 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-20070093469-A1 Substituted azetidine compounds as cyclooxygenase-1-cyclooxygenase-2 inhibitors, and their preparation and use as medicaments PTGS1, PTGS2, PTGES2 KMT2A 2847/4885MEN1 1992/4885ALDH1A1 52/4885
US-20050182041-A1 Substituted Azetidine compounds, their preparation and use as medicaments AZI2, NISCH, QDPR KMT2A 2935/4885MEN1 298/4885ALDH1A1 335/4885

“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.