SCHEMBL4597513

SCHEMBL4597513

CC1(O)CN(C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.43
HSP90AB1 P08238 5/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KCNH2 Q12809 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
GALR3 O60755 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL20164987 0.81 HSP90AA1 (0.46) HSP90AA1HSP90AB1LMNARECQLALOX5
SCHEMBL4599085 0.80 HSP90AA1 (0.46) HSP90AA1HSP90AB1ALOX5PTGS1PTGS2
SCHEMBL5389678 0.80 NR5A2 (0.44) HSP90AA1HSP90AB1ALOX5PTGS2MEN1
SCHEMBL20173647 0.79 HPGD (0.54) HSP90AA1HSP90AB1LMNARECQLMEN1
SCHEMBL20173650 0.79 ALDH1A1 (0.54) HSP90AA1HSP90AB1LMNARECQLMEN1
SCHEMBL20164980 0.78 HPGD (0.59) HSP90AA1HSP90AB1MEN1KMT2AKCNH2
SCHEMBL20173649 0.78 HPGD (0.57) HSP90AA1HSP90AB1MEN1KMT2AKCNH2
SCHEMBL31058610 0.76 HSP90AA1 (0.47) HSP90AA1HSP90AB1LMNARECQLMEN1
SCHEMBL4598135 0.76 HSP90AA1 (0.52) HSP90AA1HSP90AB1LMNARECQLALOX5
SCHEMBL20164970 0.76 GLRA1 (0.59) HSP90AA1HSP90AB1LMNARECQLALOX5

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 17 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-7232812-B2 Substituted azetidine compounds, their preparation and use as medicaments LABORATORIOS DE DR. ESTEVE S.A. (ES) 2007-06-19 US 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
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-7232812-B2 Substituted azetidine compounds, their preparation and use as medicaments LABORATORIOS DE DR. ESTEVE S.A. (ES) 2007-06-19 US 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
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
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 HSP90AA1 482/4885HSP90AB1 644/4885LMNA 4245/4885
US-20050182041-A1 Substituted Azetidine compounds, their preparation and use as medicaments AZI2, NISCH, QDPR HSP90AA1 1727/4885HSP90AB1 1982/4885LMNA 3036/4885

“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.