SCHEMBL10024993

SCHEMBL10024993

O=C(O)CCC[C@H](OP)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.45
FOLH1 Q04609 6/20 0.43
SLC6A9 P48067 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
LMNA P02545 1/20 0.40
FFAR1 O14842 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL14610756 0.85 FOLH1 (0.44) TBXA2RFOLH1SLC6A9ALDH1A1CYP2D6
SCHEMBL27868600 0.82 SIGMAR1 (0.52) TBXA2RFOLH1SLC6A9ALDH1A1CYP2D6
SCHEMBL27868602 0.82 SIGMAR1 (0.52) TBXA2RFOLH1SLC6A9ALDH1A1CYP2D6
SCHEMBL67079 0.80 TBXA2R (0.58) TBXA2RFOLH1CYP2D6LMNARAB9A
SCHEMBL523236 0.79 HTT (0.42) TBXA2RFOLH1SLC6A9ALDH1A1CYP2D6
SCHEMBL14610742 0.79 HTT (0.42) TBXA2RFOLH1SLC6A9ALDH1A1CYP2D6
SCHEMBL2743522 0.78 TBXA2R (0.50) TBXA2RFOLH1LMNA
SCHEMBL6512170 0.78 TBXA2R (0.50) TBXA2RFOLH1LMNA
SCHEMBL27868603 0.78 TBXA2R (0.50) TBXA2RFOLH1LMNA
SCHEMBL10024995 0.76 FKBP1A (0.50) ALDH1A1CYP2C9CYP2C19LMNANPC1

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-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
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
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

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 TBXA2R 3083/4885FOLH1 814/4885SLC6A9 4674/4885
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 TBXA2R 2703/4885FOLH1 1115/4885SLC6A9 4667/4885

“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.