SCHEMBL6011655

SCHEMBL6011655

O=C(O)c1cccc(CS(=O)(=O)C=C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
AKR1C3 P42330 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PLA2G4A P47712 1/20 0.41
GAA P10253 1/20 0.39
CCR2 P41597 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SLC6A9 P48067 1/20 0.39
CMA1 P23946 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AR P10275 1/20 0.38
MEP1A Q16819 1/20 0.38
MEP1B Q16820 1/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL7652781 0.87 CYP3A4 (0.38) MRGPRX4MEN1KMT2AGAASLC6A9
SCHEMBL6011901 0.86 HDAC1 (0.38) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL6011666 0.86 P2RX7 (0.43) KMT2AALDH1A1NPC1RAB9ASLC6A9
SCHEMBL6011699 0.85 KMT2A (0.45) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL6011529 0.84 SMN1; SMN2 (0.54) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL6011605 0.84 CXCR3 (0.47) MEN1KMT2AALDH1A1CCR2CNR1
SCHEMBL6011552 0.84 CNR2 (0.36) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6011784 0.84 HDAC1 (0.40) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6011622 0.83 CACNA1G (0.41) KMT2AALDH1A1NPC1RAB9APOLB
SCHEMBL6011525 0.82 NAMPT (0.38) MEN1KMT2AALDH1A1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2006-11-30 US disclosed
US-6858603-B2 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2005-02-22 US disclosed
US-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2004-11-25 US disclosed
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2003-08-28 US disclosed
EP-1112251-B1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-07 EP disclosed
US-6518264-B2 For treatment/prevention of psychoses, other brain disorders, and cardiovascular disorders AVENTIS PHARMA S.A. (FR) 2003-02-11 US disclosed
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2002-03-21 US disclosed
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 WO 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 (4 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-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AZI2, ADRA2A, ADRA2C MRGPRX4 635/4885MEN1 602/4885KMT2A 3986/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A MRGPRX4 745/4885MEN1 893/4885KMT2A 3889/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 MRGPRX4 1071/4885MEN1 1024/4885KMT2A 2406/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 MRGPRX4 1321/4885MEN1 934/4885KMT2A 4325/4885

“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.