SCHEMBL5464017

SCHEMBL5464017

CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)[C@H]2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
HDAC8 Q9BY41 1/20 0.42
FLT1 P17948 2/20 0.41
FLT4 P35916 2/20 0.41
KDR P35968 2/20 0.41
HSD11B1 P28845 1/20 0.39
SLC6A9 P48067 3/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
F10 P00742 1/20 0.39
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MCOLN3 Q8TDD5 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
SCHEMBL5464010 1.00 KMT2A (0.44) KMT2AMEN1CRHBPCRHR2HDAC8
SCHEMBL5464012 1.00 KMT2A (0.44) KMT2AMEN1CRHBPCRHR2HDAC8
SCHEMBL5456288 0.86 CRHBP (0.46) KMT2ACRHBPCRHR2SLC6A9GAA
SCHEMBL5457578 0.86 CRHBP (0.46) KMT2ACRHBPCRHR2SLC6A9GAA
SCHEMBL5456287 0.86 CRHBP (0.46) KMT2ACRHBPCRHR2SLC6A9GAA
SCHEMBL5454728 0.85 CRHBP (0.47) KMT2ACRHBPCRHR2MAPTHSP90AA1
SCHEMBL5449815 0.85 CRHBP (0.47) KMT2ACRHBPCRHR2MAPTHSP90AA1
SCHEMBL14564673 0.85 CRHBP (0.47) KMT2ACRHBPCRHR2MAPTHSP90AA1
SCHEMBL14564678 0.83 CRHBP (0.44) CRHBPCRHR2GAAMAPTSMN1; SMN2
SCHEMBL5465733 0.83 CRHBP (0.42) KMT2AMEN1CRHBPCRHR2HDAC8

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 KMT2A 2935/4885MEN1 298/4885CRHBP 4443/4885
US-20050187208-A1 Substituted Azetidine compounds, their preparation and use as medicaments AZI2, NISCH, QDPR KMT2A 2935/4885MEN1 298/4885CRHBP 4443/4885

“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.