SCHEMBL3774475

SCHEMBL3774475

CCOC(=O)C[C@H](O)C[C@@H](O)CCCl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 5/20 0.36
TRPA1 O75762 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRM1 P11229 1/20 0.34
ADORA1 P30542 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL1268738 1.00 MGAM (0.39) MGAMGAASIMGAM2L3MBTL1
SCHEMBL2224711 0.85 MGAM (0.41) MGAMGAASIMGAM2L3MBTL1
SCHEMBL14297015 0.85 MGAM (0.41) MGAMGAASIMGAM2L3MBTL1
SCHEMBL17635507 0.82 MGAM (0.39) MGAMGAASIMGAM2L3MBTL1
SCHEMBL13286122 0.81 MGAM (0.44) MGAMGAASIMGAM2L3MBTL1
SCHEMBL214007 0.79 MGAM (0.46) MGAMGAASIMGAM2L3MBTL1
SCHEMBL96394 0.79 MGAM (0.46) MGAMGAASIMGAM2L3MBTL1
SCHEMBL96009 0.79 MGAM (0.46) MGAMGAASIMGAM2L3MBTL1
SCHEMBL1258369 0.78 GAA (0.55) MGAMGAASIMGAM2L3MBTL1
SCHEMBL5563470 0.78 MGAM (0.41) MGAMGAASIMGAM2L3MBTL1

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-7855302-B2 Process for the preparation of intermediates useful in the synthesis of statin derivatives especially 7-amino-3.5-dihydroxyhepanoic acid derivatives and intermediates thereof CIBA SPECIALTY CHEMICALS CORP. (US) 2010-12-21 US disclosed
US-20080312466-A1 Synthesis and intermediates OHRLEIN REINHOLD 2008-12-18 US disclosed
US-7420078-B2 Process for the preparation of intermediates useful in the synthesis of statin derivatives especially 7-amino 3,5-dihydroxy heptanoic acid derivatives, and intermediates thereof CIBA SPECIALTY CHEMICALS CORP. (US) 2008-09-02 US disclosed
US-20040186313-A1 Process for the preparation of intermediates useful in the synthesis of statin derivatives especially 7-amino 3 5-dihydroxy heptanoic acid derivatives, and intermediates thereof CIBA SPECIALTY CHEMICALS CORP. 2004-09-23 US disclosed
EP-1404639-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF STATIN DERIVATIVES ESPECIALLY 7-AMINO 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES, AND INTERMEDIATES THEREOF Ciba SC Holding AG (CH) 2004-04-07 EP disclosed
WO-2003004450-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF STATIN DERIVATIVES ESPECIALLY 7-AMINO 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES, AND INTERMEDIATES THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-01-16 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-20040186313-A1 Process for the preparation of intermediates useful in the synthesis of statin derivatives especially 7-amino 3 5-dihydroxy heptanoic acid derivatives, and intermediates thereof HMGCR, CYP46A1, CYP7A1 MGAM 3710/4885GAA 2981/4885SI 552/4885
US-20080312466-A1 Synthesis and intermediates HMGCR, SREBF1, COASY MGAM 2945/4885GAA 2229/4885SI 870/4885

“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.