SCHEMBL524323

SCHEMBL524323

COC(=O)C(CCC(OCc1ccccc1)c1ccc(F)cc1)C(Nc1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
RECQL P46063 1/20 0.44
FFAR1 O14842 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
AR P10275 1/20 0.42
LMNA P02545 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
GPR34 Q9UPC5 1/20 0.41
ALOX5 P09917 1/20 0.40
PABPC1 P11940 1/20 0.40

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
SCHEMBL524752 0.79 GRIN1 (0.37) LTA4HMEN1KMT2AALDH1A1RECQL
SCHEMBL14261153 0.79 LTA4H (0.52) LTA4HMEN1KMT2AALDH1A1RECQL
SCHEMBL14068553 0.77 MEN1 (0.52) LTA4HMEN1KMT2AALDH1A1RECQL
SCHEMBL4745611 0.77 MEN1 (0.52) LTA4HMEN1KMT2AALDH1A1RECQL
SCHEMBL13764888 0.76 KMT2A (0.43) MEN1KMT2AALDH1A1FFAR1SMN1; SMN2
SCHEMBL13698651 0.75 AR (0.45) LTA4HMEN1KMT2AALDH1A1RECQL
SCHEMBL4742525 0.73 MEN1 (0.49) LTA4HMEN1KMT2AALDH1A1RECQL
SCHEMBL13624607 0.72 GRIN1 (0.37) MEN1KMT2AALDH1A1RECQLFFAR1
SCHEMBL13243299 0.72 ALDH1A1 (0.52) LTA4HMEN1KMT2AALDH1A1RECQL
SCHEMBL3418202 0.71 FFAR1 (0.57) LTA4HMEN1KMT2AALDH1A1RECQL

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-9994520-B2 Enzymatic process for the preparation of (S)-5-(4-fluoro-phenyl)-5-hydroxy-1morpholin-4-yl-pentan-1-one, an intermediate of ezetimibe and further conversion to ezetimibe MYLAN LABORATORIES LIMITED (IN) 2018-06-12 US disclosed
US-20160280642-A1 ENZYMATIC PROCESS FOR THE PREPARATION OF (S)-5-(4-FLUORO-PHENYL)-5-HYDROXY- 1MORPHOLIN-4-YL-PENTAN-1-ONE, AN INTERMEDIATE OF EZETIMIBE AND FURTHER CONVERSION TO EZETIMIBE MYLAN LABORATORIES LIMITED (IN) 2016-09-29 US disclosed
US-9388440-B2 Enzymatic process for the preparation of (S)-5-(4-fluoro-phenyl)-5-hydroxy-1morpholin-4-yl-pentan-1-one, an intermediate of Ezetimibe and further conversion to Ezetimibe MYLAN LABORATORIES LIMITED (IN) 2016-07-12 US disclosed
EP-2414529-A2 ENZYMATIC PROCESS FOR THE PREPARATION OF (S)-5-(4-FLUORO-PHENYL)-5-HYDROXY- 1MORPHOLIN-4-YL-PENTAN-1-ONE, AN INTERMEDIATE OF EZETIMIBE AND FURTHER CONVERSION TO EZETIMIBE Matrix Laboratories Ltd (IN) 2012-02-08 EP disclosed
US-20120028316-A1 ENZYMATIC PROCESS FOR THE PREPARATION OF (S)-5-(4-FLUORO-PHENYL)-5-HYDROXY- 1MORPHOLIN-4-YL-PENTAN-1-ONE, AN INTERMEDIATE OF EZETIMIBE AND FURTHER CONVERSION TO EZETIMIBE MATRIX PHARMACORP PRIVATE LIMITED (IN) 2012-02-02 US disclosed
WO-2010113175-A2 ENZYMATIC PROCESS FOR THE PREPARATION OF (S)-5-(4-FLUORO-PHENYL)-5-HYDROXY- 1MORPHOLIN-4-YL-PENTAN-1-ONE, AN INTERMEDIATE OF EZETIMIBE AND FURTHER CONVERSION TO EZETIMIBE MATRIX LABORATORIES LTD (IN) 2010-10-07 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 (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-20120028316-A1 ENZYMATIC PROCESS FOR THE PREPARATION OF (S)-5-(4-FLUORO-PHENYL)-5-HYDROXY- 1MORPHOLIN-4-YL-PENTAN-1-ONE, AN INTERMEDIATE OF EZETIMIBE AND FURTHER CONVERSION TO EZETIMIBE CES1, CMA1, CYP51A1 LTA4H 603/4885MEN1 1057/4885KMT2A 948/4885
US-20160280642-A1 ENZYMATIC PROCESS FOR THE PREPARATION OF (S)-5-(4-FLUORO-PHENYL)-5-HYDROXY- 1MORPHOLIN-4-YL-PENTAN-1-ONE, AN INTERMEDIATE OF EZETIMIBE AND FURTHER CONVERSION TO EZETIMIBE TPSD1, PCSK9, PEPD LTA4H 1029/4885MEN1 984/4885KMT2A 1304/4885

“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.