Sugi Predict

Sugi Predict / Compounds / SCHEMBL526237

SCHEMBL526237

SCHEMBL526237

CC(C)C(=O)C(C)C(=O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ NPC1 O15118 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ BAD Q92934 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ PTPN1 P18031 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38

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
SCHEMBL25214258 0.83 CES2 (0.50) CES2CES1CA1CA2NPC1
SCHEMBL6726501 0.83 CES2 (0.54) CES2CES1CA1CA2NPC1
SCHEMBL204960 0.83 CES2 (0.54) CES2CES1CA1CA2NPC1
SCHEMBL2379291 0.82 CES2 (0.48) CES2CES1CA1CA2NPC1
SCHEMBL7948329 0.81 CES2 (0.43) CES2CES1CA1CA2NPC1
SCHEMBL9441555 0.81 CES2 (0.43) CES2CES1CA1CA2NPC1
SCHEMBL28043394 0.80 NPC1 (0.53) CES2CES1NPC1HPGDBCL2L1
SCHEMBL16160090 0.79 KMT2A (0.51) CES2CES1NPC1ALDH1A1HPGD
SCHEMBL30305725 0.77 CA1 (0.45) CES2CES1CA1CA2NPC1
SCHEMBL29589026 0.77 CES2 (0.43) CES2CES1CA1CA2NPC1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110759868-A Preparation method of rosuvastatin 雅本化学股份有限公司 2020-02-07 — — CN claimed
CN-110759868-A Preparation method of rosuvastatin 雅本化学股份有限公司 2020-02-07 — — CN disclosed
CN-105254483-B A kind of method for preparing the Dicarbonyl derivatives of 2 methyl 1,3 苏州大学 2017-11-03 — — CN disclosed
EP-2598484-B1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS (SI) 2016-06-29 — — EP disclosed
EP-2598484-B1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS (SI) 2016-06-29 — — EP disclosed
CN-105254483-A Method for preparing 2-methyl-1,3-dicarbonyl derivative UNIV SOOCHOW 2016-01-20 — — CN disclosed
US-9085538-B2 Process for the preparation of key intermediates for the synthesis of statins or pharmaceutically acceptable salts thereof LEK PHARMACEUTICALS D.D. (SI) 2015-07-21 — — US disclosed
US-9085538-B2 Process for the preparation of key intermediates for the synthesis of statins or pharmaceutically acceptable salts thereof LEK PHARMACEUTICALS D.D. (SI) 2015-07-21 — — US disclosed
US-9085538-B2 Process for the preparation of key intermediates for the synthesis of statins or pharmaceutically acceptable salts thereof LEK PHARMACEUTICALS D.D. (SI) 2015-07-21 — — US disclosed
US-20140051854-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2014-02-20 — — US disclosed
US-20140051854-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2014-02-20 — — US disclosed
US-20140051854-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2014-02-20 — — US disclosed
EP-2598484-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK Pharmaceuticals d.d. (SI) 2013-06-05 — — EP disclosed
EP-2423195-A1 Process for the preparation of key intermediates for the synthesis of statins or pharmaceutically acceptable salts thereof LEK Pharmaceuticals d.d. (SI) 2012-02-29 — — EP disclosed
EP-2423195-A1 Process for the preparation of key intermediates for the synthesis of statins or pharmaceutically acceptable salts thereof LEK Pharmaceuticals d.d. (SI) 2012-02-29 — — EP disclosed
WO-2012013325-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2012-02-02 — — WO disclosed
WO-2012013325-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2012-02-02 — — WO disclosed
CN-102311457-A Preparation method of rosuvastatin SUZHOU LAKESTAR PHARMATECH CO LTD 2012-01-11 — — CN 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 (1 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-20140051854-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HMGCR, PCSK9, FAH CES2 2015/4885CES1 453/4885CA1 3965/4885

“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.