SCHEMBL9008172

SCHEMBL9008172

CCOC(=O)CSCC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
KMT2A Q03164 4/20 0.53
NPC1 O15118 3/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46

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
SCHEMBL11831191 0.91 L3MBTL1 (0.54) ALDH1A1LMNAL3MBTL1POLBCYP1A2
SCHEMBL22118370 0.84 ALDH1A1 (0.50) ALDH1A1KMT2ANPC1MEN1LMNA
SCHEMBL133738 0.82 ALDH1A1 (0.87) ALDH1A1KMT2ANPC1MEN1LMNA
SCHEMBL3256326 0.79 NPC1 (0.62) ALDH1A1KMT2ANPC1MEN1LMNA
SCHEMBL124577 0.79 KMT2A (0.59) ALDH1A1KMT2ANPC1MEN1L3MBTL1
SCHEMBL1581464 0.78 ALDH1A1 (0.68) ALDH1A1KMT2ANPC1MEN1LMNA
SCHEMBL18113085 0.78 KMT2A (0.55) ALDH1A1KMT2ANPC1MEN1LMNA
SCHEMBL8544332 0.78 GAA (0.57) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL17433560 0.77 KMT2A (0.57) ALDH1A1KMT2ANPC1MEN1L3MBTL1
SCHEMBL17433641 0.77 KMT2A (0.57) ALDH1A1KMT2ANPC1MEN1L3MBTL1

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-7906502-B2 2-azetidinone derivatives as cholesterol absorption inhibitors for the treatment of hyperlipidaemic conditions ASTRAZENECA AB (SE) 2011-03-15 US disclosed
US-7906502-B2 2-azetidinone derivatives as cholesterol absorption inhibitors for the treatment of hyperlipidaemic conditions ASTRAZENECA AB (SE) 2011-03-15 US disclosed
US-7893048-B2 2-azetidinone derivatives as cholesterol absorption inhibitors for the treatment of hyperlipidaemic conditions ASTRAZENECA AB (SE) 2011-02-22 US disclosed
US-7893048-B2 2-azetidinone derivatives as cholesterol absorption inhibitors for the treatment of hyperlipidaemic conditions ASTRAZENECA AB (SE) 2011-02-22 US disclosed
US-20100168039-A1 Novel 2-Azetidinone Derivatives As Cholesterol Absorption Inhibitors For The Treatment Of Hyperlipidaemic Conditions ASTRAZENECA AB (SE) 2010-07-01 US disclosed
US-20100168039-A1 Novel 2-Azetidinone Derivatives As Cholesterol Absorption Inhibitors For The Treatment Of Hyperlipidaemic Conditions ASTRAZENECA AB (SE) 2010-07-01 US disclosed
US-20100137273-A1 Novel 2-Azetidinone Derivatives As Cholesterol Absorption Inhibitors For The Treatment Of Hyperlipidaemic Conditions ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-20100137273-A1 Novel 2-Azetidinone Derivatives As Cholesterol Absorption Inhibitors For The Treatment Of Hyperlipidaemic Conditions ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-5491152-A Derivatives of cyclic ethers and sulfides for the treatment of atherosclerosis THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-02-13 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-20100168039-A1 Novel 2-Azetidinone Derivatives As Cholesterol Absorption Inhibitors For The Treatment Of Hyperlipidaemic Conditions CYP46A1, NPC1L1, NPC1 ALDH1A1 856/4885KMT2A 2678/4885NPC1 3/4885
US-20100137273-A1 Novel 2-Azetidinone Derivatives As Cholesterol Absorption Inhibitors For The Treatment Of Hyperlipidaemic Conditions CYP46A1, NPC1L1, NPC1 ALDH1A1 872/4885KMT2A 2518/4885NPC1 3/4885

“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.