SCHEMBL2065710

SCHEMBL2065710

OCC[C@@H](O)C[C@H](O)CCl

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 1/20 0.39
DPP4 P27487 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL16366004 1.00 THRB (0.48) THRBCA1CA2CA9DPP4
SCHEMBL21281751 1.00 THRB (0.48) THRBCA1CA2CA9DPP4
SCHEMBL4787058 0.85
SCHEMBL3152133 0.85
SCHEMBL3152141 0.85
SCHEMBL1888683 0.85 THRB (0.62) THRBDPP4ALDH1A1USP2CYP3A4
SCHEMBL25949401 0.85 THRB (0.62) THRBDPP4ALDH1A1USP2CYP3A4
SCHEMBL14388243 0.82 THRB (0.59) THRBDPP4ALDH1A1USP2CYP3A4
SCHEMBL8721132 0.82 THRB (0.59) THRBDPP4ALDH1A1USP2CYP3A4
SCHEMBL13569224 0.82 THRB (0.59) THRBDPP4ALDH1A1USP2CYP3A4

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019159191-A1 AN IMPROVED PROCESS FOR PREPARATION OF SUGAMMADEX SODIUM EXTROVIS AG EXTROVIS PRIVATE LIMITED (IN) 2019-08-22 WO disclosed
WO-2014203045-A1 A NOVEL, GREEN AND COST EFFECTIVE PROCESS FOR SYNTHESIS OF TERT-BUTYL (3R,5S)-6-OXO-3,5-DIHYDROXY-3,5-O-ISOPROPYLIDENE-HEXANOATE LUPIN LIMITED (IN) 2014-12-24 WO disclosed
EP-1700854-B1 Intermediates for the preparation of 2-(6-substituted-1,3-dioxane-4-yl) acetic acid derivatives ASTRAZENECA UK LTD (GB) 2012-05-23 EP disclosed
US-8148324-B2 Aldolases, nucleic acids encoding them; improving thermal stability of enzyme; biosynthesis of atorvastatin, rosuvastatin, fluvastatin starting from e.g. acetaldehyde and chloroacetaldehyde, using enzyme 2-deoxyribose-5-phosphate aldolase (DERA) to form pyran intermediate VERENIUM CORPORATION (US) 2012-04-03 US disclosed
US-20110251406-A1 PROCESS FOR THE PREPARATION OF 2-(6-SUBSTITUTED-1,-3-DIOXANE-4-YL) ACETIC ACID DERIVATIVES ASTRAZENECA UK LTD. (GB) 2011-10-13 US disclosed
US-7989643-B2 Process for the preparation of 2-(6-substituted-1,3-dioxane-4-yl)acetic acid derivatives ASTRAZENECA UK LTD. (GB) 2011-08-02 US disclosed
US-20100136339-A1 Process for the Preparation of 2-(6-Substituted-1,3-Dioxane-4-yl)Acetic Acid Derivatives ASTRAZENECA UK LTD. (GB) 2010-06-03 US disclosed
US-7642363-B2 Process for the preparation of 2-(6-substituted-1,3-dioxane-4-YL) acetic acid derivatives ASTRAZENECA UK LTD. (GB) 2010-01-05 US disclosed
US-20080289056-A1 CHEMOENZYMATIC METHODS FOR THE SYNTHESIS OF STATINS AND STATIN INTERMEDIATES VERENIUM CORPORATION (US) 2008-11-20 US disclosed
US-7414119-B2 Aldolases, nucleic acids encoding them and methods for making and using them VERENIUM CORPORATION (US) 2008-08-19 US disclosed
EP-1625223-A2 CHEMOENZYMATIC METHODS FOR THE SYNTHESIS OF STATINS AND STATIN INTERMEDIATES Diversa Corporation (US) 2006-02-15 EP disclosed
US-20050153407-A1 Chemoenzymatic methods for the synthesis of statins and stain intermediates VERENIUM CORPORATION 2005-07-14 US disclosed
US-20050148785-A1 Process for the preparation of 2-(6-substituted-1,-3-dioxane-4-YL) acetic acid derivatives ASTRAZENECA UK LTD. 2005-07-07 US disclosed
US-6870059-B2 Process for the preparation of 2-(6-substituted-1,-3-dioxane-4-yl)acetic acid derivatives ASTRAZENECA UK LTD. (GB) 2005-03-22 US disclosed
WO-2004027075-A2 CHEMOENZYMATIC METHODS FOR THE SYNTHESIS OF STATINS AND STAIN INTERMEDIATES DIVERSA CORPORATION (US) 2004-04-01 WO disclosed
US-20030158426-A1 Process for the preparation of 2-(6-subtituted-1,-3-dioxane-4-yl)acetic acid derivatives ASTRAZENECA UK LTD. (GB) 2003-08-21 US disclosed
EP-1317440-A1 PROCESS FOR THE PREPARATION OF 2-(6-SUBSTITUTED-1,3-DIOXANE-4-YL)ACETIC ACID DERIVATIVES DSM N.V. (NL) 2003-06-11 EP disclosed
WO-2002006266-A1 PROCESS FOR THE PREPARATION OF 2-(6-SUBSTITUTED-1,3-DIOXANE-4-YL)ACETIC ACID DERIVATIVES DSM N.V. (NL) 2002-01-24 WO disclosed
US-5795749-A Use of 2-deoxyribose-5-phosphate aldolase to prepare 2-deoxyfucose, analogues and derivatives THE SCRIPPS RESEARCH INSTITUTION (US) 1998-08-18 US disclosed
WO-1996031615-A1 USE OF 2-DEOXYRIBOSE-5-PHOSPHATE ALDOLASE TO PREPARE 2-DEOXYFUCOSE, ANALOGUES AND DERIVATIVES THE SCRIPPS RESEARCH INSTITUTE (US) 1996-10-10 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 (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-20050148785-A1 Process for the preparation of 2-(6-substituted-1,-3-dioxane-4-YL) acetic acid derivatives HMGCR, ACOX3, STARD3 THRB 1848/4885CA1 161/4885CA2 128/4885
US-20100136339-A1 Process for the Preparation of 2-(6-Substituted-1,3-Dioxane-4-yl)Acetic Acid Derivatives HMGCR, STARD3, ACOX3 THRB 1691/4885CA1 155/4885CA2 105/4885
US-20110251406-A1 PROCESS FOR THE PREPARATION OF 2-(6-SUBSTITUTED-1,-3-DIOXANE-4-YL) ACETIC ACID DERIVATIVES HMGCR, ACOX3, STARD3 THRB 2167/4885CA1 127/4885CA2 115/4885
US-20030158426-A1 Process for the preparation of 2-(6-subtituted-1,-3-dioxane-4-yl)acetic acid derivatives HMGCR, SRD5A1, CYP11A1 THRB 1308/4885CA1 136/4885CA2 116/4885

“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.