SCHEMBL5456288

SCHEMBL5456288

C[C@H]1[C@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 4/20 0.46
CRHR2 Q13324 4/20 0.46
HSP90AA1 P07900 1/20 0.41
MAPK1 P28482 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
APP P05067 1/20 0.38
SLC6A9 P48067 1/20 0.37
ALPG P10696 1/20 0.37
PTGS2 P35354 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37

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
SCHEMBL5456287 1.00 CRHBP (0.46) CRHBPCRHR2HSP90AA1MAPK1MCOLN3
SCHEMBL5457578 1.00 CRHBP (0.46) CRHBPCRHR2HSP90AA1MAPK1MCOLN3
SCHEMBL5449815 0.89 CRHBP (0.47) CRHBPCRHR2HSP90AA1MAPK1MCOLN3
SCHEMBL5454728 0.89 CRHBP (0.47) CRHBPCRHR2HSP90AA1MAPK1MCOLN3
SCHEMBL14564673 0.89 CRHBP (0.47) CRHBPCRHR2HSP90AA1MAPK1MCOLN3
SCHEMBL14564678 0.87 CRHBP (0.44) CRHBPCRHR2HSP90AA1ALDH1A1LMNA
SCHEMBL5465733 0.87 CRHBP (0.42) CRHBPCRHR2HSP90AA1MAPK1MCOLN3
SCHEMBL5465740 0.87 CRHBP (0.42) CRHBPCRHR2HSP90AA1MAPK1MCOLN3
SCHEMBL5465728 0.87 CRHBP (0.42) CRHBPCRHR2HSP90AA1MAPK1MCOLN3
SCHEMBL5464017 0.86 KMT2A (0.44) CRHBPCRHR2HSP90AA1MAPK1MCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066587-A1 Substituted azetidine compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A (ES) 2007-03-22 US claimed
EP-1718609-A1 SUBSTITUTED AZETIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-11-08 EP claimed
WO-2005077897-A1 SUBSTITUTED AZETIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-08-25 WO claimed
US-20050187208-A1 Substituted Azetidine compounds, their preparation and use as medicaments LABORATORIOS DE DR. ESTEVE S.A. (ES) 2005-08-25 US claimed
US-20070066587-A1 Substituted azetidine compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A (ES) 2007-03-22 US disclosed
EP-1718609-A1 SUBSTITUTED AZETIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-11-08 EP disclosed
WO-2005077897-A1 SUBSTITUTED AZETIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-08-25 WO disclosed
US-20050187208-A1 Substituted Azetidine compounds, their preparation and use as medicaments LABORATORIOS DE DR. ESTEVE S.A. (ES) 2005-08-25 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-20070066587-A1 Substituted azetidine compounds, their preparation and use as medicaments AZI2, NISCH, QDPR CRHBP 4443/4885CRHR2 3452/4885HSP90AA1 1727/4885
US-20050187208-A1 Substituted Azetidine compounds, their preparation and use as medicaments AZI2, NISCH, QDPR CRHBP 4443/4885CRHR2 3452/4885HSP90AA1 1727/4885

“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.