SCHEMBL6011695

SCHEMBL6011695

COC(=O)c1cccc(CCSCCc2cccc(C(=O)OC)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.73
CYP4A11 Q02928 3/20 0.73
LOXL2 Q9Y4K0 1/20 0.66
SLC7A5 Q01650 1/20 0.56
HIF1A Q16665 1/20 0.53
MRGPRX4 Q96LA9 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 3/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PARP1 P09874 1/20 0.49
FOLH1 Q04609 1/20 0.49
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL70173 0.90 CYP4F2 (0.83) CYP4F2CYP4A11LOXL2SLC7A5HIF1A
SCHEMBL184267 0.86 CYP4F2 (0.60) CYP4F2CYP4A11LOXL2SLC7A5HIF1A
SCHEMBL46931 0.85 CYP4A11 (1.00) CYP4F2CYP4A11LOXL2SLC7A5HIF1A
SCHEMBL1926802 0.85 CYP4F2 (0.76) CYP4F2CYP4A11LOXL2SLC7A5HIF1A
SCHEMBL1696378 0.85 CYP4F2 (0.76) CYP4F2CYP4A11LOXL2SLC7A5HIF1A
SCHEMBL25464938 0.85 LOXL2 (0.68) CYP4F2CYP4A11LOXL2SLC7A5HIF1A
SCHEMBL10609527 0.85 CYP4F2 (0.76) CYP4F2CYP4A11LOXL2SLC7A5HIF1A
SCHEMBL30417629 0.85 LOXL2 (0.68) CYP4F2CYP4A11LOXL2SLC7A5HIF1A
SCHEMBL3012713 0.83 LOXL2 (0.76) CYP4F2CYP4A11LOXL2SLC7A5HIF1A
SCHEMBL5544436 0.83 CYP4F2 (0.73) CYP4F2CYP4A11LOXL2SLC7A5HIF1A

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 6 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
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

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 CYP4F2 359/4885CYP4A11 126/4885LOXL2 2193/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A CYP4F2 416/4885CYP4A11 160/4885LOXL2 2154/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 CYP4F2 148/4885CYP4A11 41/4885LOXL2 2646/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 CYP4F2 245/4885CYP4A11 199/4885LOXL2 3540/4885

“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.