Sugi Predict

Sugi Predict / Compounds / SCHEMBL557533

SCHEMBL557533

SCHEMBL557533

COC(=O)C[C@@H](O)C[C@@H](O)/C=C/c1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.83
▸ SIRT6 Q8N6T7 2/20 0.83
▸ HMGCR P04035 2/20 0.83
▸ ABCC3 O15438 1/20 0.83
▸ ABCB11 O95342 1/20 0.83
▸ PGR P06401 1/20 0.83
▸ ADORA3 P0DMS8 1/20 0.83
▸ RXRA P19793 1/20 0.83
▸ TBXA2R P21731 1/20 0.83
▸ CCKAR P32238 1/20 0.83
▸ ADRA1A P35348 1/20 0.83
▸ PTGS2 P35354 1/20 0.83
▸ NR4A2 P43354 1/20 0.83
▸ PDE4D Q08499 1/20 0.83
▸ SLC10A1 Q14973 1/20 0.83
▸ KDM4E B2RXH2 1/20 0.79
▸ ALDH1A1 P00352 1/20 0.79
▸ LMNA P02545 1/20 0.79
▸ CYP1A2 P05177 1/20 0.79
▸ SMN1; SMN2 Q16637 1/20 0.79

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
SCHEMBL5685977 1.00 CYP2C9 (0.83) CYP2C9SIRT6HMGCRABCC3ABCB11
SCHEMBL5685975 1.00 CYP2C9 (0.83) CYP2C9SIRT6HMGCRABCC3ABCB11
SCHEMBL1503617 0.94 CYP2C9 (0.84) CYP2C9SIRT6HMGCRABCC3ABCB11
SCHEMBL5332659 0.93 CYP2C9 (0.73) CYP2C9SIRT6HMGCRABCC3ABCB11
SCHEMBL5332670 0.93 CYP2C9 (0.73) CYP2C9SIRT6HMGCRABCC3ABCB11
SCHEMBL1147645 0.91 CYP2C9 (0.80) CYP2C9SIRT6HMGCRABCC3ABCB11
Fluvastatin SCHEMBL28043380 0.91 HMGCR (0.90) CYP2C9SIRT6HMGCRABCC3ABCB11
SCHEMBL13987098 0.91 CYP2C9 (0.80) CYP2C9SIRT6HMGCRABCC3ABCB11
Fluvastatin SCHEMBL23468028 0.91 HMGCR (1.00) CYP2C9SIRT6HMGCRABCC3ABCB11
Fluvastatin SCHEMBL2848 0.91 HMGCR (1.00) CYP2C9SIRT6HMGCRABCC3ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110922870-B UV-curable powder coating and preparation method thereof 韶关长悦高分子材料有限公司 2021-07-30 — — CN claimed
CN-110922870-A UV-curable powder coating and preparation method thereof 张礼国 2020-03-27 — — CN claimed
CN-110922870-B UV-curable powder coating and preparation method thereof 韶关长悦高分子材料有限公司 2021-07-30 — — CN disclosed
CN-110922870-B UV-curable powder coating and preparation method thereof 韶关长悦高分子材料有限公司 2021-07-30 — — CN disclosed
CN-110922870-A UV-curable powder coating and preparation method thereof 张礼国 2020-03-27 — — CN disclosed
CN-110922870-A UV-curable powder coating and preparation method thereof 张礼国 2020-03-27 — — CN disclosed
CN-109574937-A A kind of preparation method of Rosuvastatin methyl esters 安徽省庆云医药股份有限公司 2019-04-05 — — CN disclosed
CN-105566228-B A kind of synthetic method of Rosuvastatin 安徽美诺华药物化学有限公司 2019-01-04 — — CN disclosed
CN-104529909-B A kind of method for crystallising of rosuvastain calcium intermediate 江西富祥药业股份有限公司 2016-08-24 — — CN disclosed
EP-2419407-B1 IMPROVED PROCESS FOR THE PREPARATION OF FLUVASTATIN AND SALTS THEREOF PHARMATHEN SA (GR) 2012-11-14 — — EP disclosed
CN-102351776-B Fluvastatin sodium compound and preparation method thereof HAINAN MEIDA PHARMACEUTICAL CO 2012-09-26 — — CN disclosed
CN-1740155-A Process and intermediates for the selective synthesis of fluvastatin and use thereof ZHEJIANG HISUN PHARMACEUTICAL (CN) 2006-03-01 — — CN disclosed
CN-1687032-A Synthesized intermediate compound of Rosuvastain, preparation method and application HAIZHENG PHARMACEUTICAL CO LTD (CN) 2005-10-26 — — CN disclosed
US-20050119342-A1 Process for the preparation of fluvastatin sodium crystal form XIV TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2005-06-02 — — US disclosed
WO-2005040113-A1 PROCESSES FOR THE PREPARATION OF A POLYMORPH OF FLUVASTATIN SODIUM TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2005-05-06 — — WO disclosed
US-20050038114-A1 Fluvastatin sodium crystal forms XIV, LXXIII, LXXIX, LXXX and LXXXVII, processes for preparing them, compositions containing them and methods of using them TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2005-02-17 — — US disclosed
US-20050032884-A1 Eluvastatin sodium crystal forms, processes for preparing them, compositions containing them and methods of using them TEVA PHARMACEUTICALS USA, INC. 2005-02-10 — — US disclosed
WO-2004113291-A2 FLUVASTATIN SODIUM CRYSTAL FORMS XIV, LXXIII,LXXIX, LXXX AND LXXXVII, PROCESSES FOR PREPARING THEM, COMPOSITIONS CONTAINING THEM AND METHODS OF USING THEM TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-12-29 — — WO disclosed
WO-2004113292-A2 FLUVASTATIN SODIUM CRYSTAL FORMS, PROCESSES FOR PREPARING THEM, COMPOSITIONS CONTAINING THEM AND METHODS OF USING THEM TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-12-29 — — WO disclosed
WO-2004096765-A2 A NOVEL CRYSTALLINE POLYMORPH OF FLUVASTATIN SODIUM AND A PROCESS FOR PREPARING IT MOREPEN LABORATORIES LTD. (IN) 2004-11-11 — — 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 (3 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-20050032884-A1 Eluvastatin sodium crystal forms, processes for preparing them, compositions containing them and methods of using them PCSK9, HMGCR, PCSK6 CYP2C9 75/4885SIRT6 1190/4885HMGCR 2/4885
US-20050038114-A1 Fluvastatin sodium crystal forms XIV, LXXIII, LXXIX, LXXX and LXXXVII, processes for preparing them, compositions containing them and methods of using them LPXN, PCSK9, CYP4A11 CYP2C9 27/4885SIRT6 1568/4885HMGCR 8/4885
US-20050119342-A1 Process for the preparation of fluvastatin sodium crystal form XIV CYP4F11, CYP4A11, CYP4F3 CYP2C9 23/4885SIRT6 2721/4885HMGCR 5/4885

“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.