SCHEMBL4598573

SCHEMBL4598573

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.45
HSP90AB1 P08238 4/20 0.45
GLRA1 P23415 1/20 0.43
KCNH2 Q12809 1/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
HSD17B10 Q99714 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
RBP4 P02753 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 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
SCHEMBL20164970 0.86 GLRA1 (0.59) HSP90AA1HSP90AB1GLRA1KCNH2LMNA
SCHEMBL4598135 0.86 HSP90AA1 (0.52) HSP90AA1HSP90AB1GLRA1KCNH2LMNA
SCHEMBL20173650 0.79 ALDH1A1 (0.54) HSP90AA1HSP90AB1KCNH2LMNARECQL
SCHEMBL20173647 0.79 HPGD (0.54) HSP90AA1HSP90AB1KCNH2LMNARECQL
SCHEMBL20164980 0.78 HPGD (0.59) HSP90AA1HSP90AB1KCNH2ALDH1A1HPGD
SCHEMBL20173649 0.78 HPGD (0.57) HSP90AA1HSP90AB1KCNH2ALDH1A1HPGD
SCHEMBL20164957 0.76 GLRA1 (0.64) HSP90AA1HSP90AB1GLRA1KCNH2ALDH1A1
SCHEMBL20164958 0.76 GLRA1 (0.64) HSP90AA1HSP90AB1GLRA1KCNH2ALDH1A1
SCHEMBL4597513 0.75 HSP90AA1 (0.43) HSP90AA1HSP90AB1KCNH2LMNARECQL
SCHEMBL11613230 0.75 HSP90AA1 (0.72) HSP90AA1HSP90AB1HPGDMEN1KMT2A

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 HSP90AA1 482/4885HSP90AB1 644/4885GLRA1 1022/4885
US-20050182041-A1 Substituted Azetidine compounds, their preparation and use as medicaments AZI2, NISCH, QDPR HSP90AA1 1727/4885HSP90AB1 1982/4885GLRA1 1510/4885

“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.