Atorvastatin Lactone

Atorvastatin Lactone

SCHEMBL10025147

CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@H](O)CC(=O)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 2/20 1.00
▸ SLCO1B1 Q9Y6L6 2/20 1.00
▸ ABCB1 P08183 1/20 1.00
▸ ABCC2 Q92887 1/20 1.00
▸ NR1I2 O75469 1/20 0.58
▸ ABCB11 O95342 1/20 0.58
▸ RHOC P08134 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ HDAC1 Q13547 1/20 0.58
▸ HDAC2 Q92769 1/20 0.58
▸ NR1H4 Q96RI1 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ ABCG2 Q9UNQ0 1/20 0.58

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
Atorvastatin Lactone SCHEMBL13762456 1.00 HMGCR (1.00) HMGCRSLCO1B1ABCB1ABCC2NR1I2
Atorvastatin Lactone SCHEMBL1266 1.00 HMGCR (1.00) HMGCRSLCO1B1ABCB1ABCC2NR1I2
Atorvastatin Lactone SCHEMBL1258955 1.00 HMGCR (1.00) HMGCRSLCO1B1ABCB1ABCC2NR1I2
Atorvastatin Lactone SCHEMBL12060138 1.00 HMGCR (1.00) HMGCRSLCO1B1ABCB1ABCC2NR1I2
Atorvastatin Lactone SCHEMBL12648491 1.00 HMGCR (1.00) HMGCRSLCO1B1ABCB1ABCC2NR1I2
Atorvastatin Lactone SCHEMBL1265 1.00 HMGCR (1.00) HMGCRSLCO1B1ABCB1ABCC2NR1I2
Atorvastatin Lactone SCHEMBL9810905 0.97 HMGCR (0.94) HMGCRSLCO1B1ABCB1ABCC2NR1I2
SCHEMBL5605464 0.96 HMGCR (0.93) HMGCRSLCO1B1ABCB1ABCC2NR1I2
SCHEMBL5605468 0.96 HMGCR (0.93) HMGCRSLCO1B1ABCB1ABCC2NR1I2
SCHEMBL13992376 0.96 HMGCR (0.93) HMGCRSLCO1B1ABCB1ABCC2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210169838-A1 Novel class of compounds for the treatment of cardiovascular disease. STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2021-06-10 — — US disclosed
US-20210169838-A1 Novel class of compounds for the treatment of cardiovascular disease. STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2021-06-10 — — US disclosed
US-20190038588-A1 NOVEL CLASS OF COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2019-02-07 — — US disclosed
US-20190038588-A1 NOVEL CLASS OF COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2019-02-07 — — US disclosed
WO-2017137469-A1 NOVEL CLASS OF COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2017-08-17 — — WO disclosed
US-20120046335-A1 SOLID STATES OF ATORVASTATIN POTASSIUM TEVA PHARMACEUTICAL INDUSTRIES LTD. 2012-02-23 — — US disclosed
US-20120046335-A1 SOLID STATES OF ATORVASTATIN POTASSIUM TEVA PHARMACEUTICAL INDUSTRIES LTD. 2012-02-23 — — US disclosed
US-8071638-B2 Solid states of atorvastatin potassium TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2011-12-06 — — US disclosed
US-8071638-B2 Solid states of atorvastatin potassium TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2011-12-06 — — US disclosed
US-20100041731-A1 SOLID STATES OF ATORVASTATIN POTASSIUM TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-02-18 — — US disclosed
US-20100041731-A1 SOLID STATES OF ATORVASTATIN POTASSIUM TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-02-18 — — US disclosed
US-20090018182-A1 Crystalline forms of atorvastatin TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-01-15 — — US disclosed
US-20090018182-A1 Crystalline forms of atorvastatin TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-01-15 — — 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 (5 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-20090018182-A1 Crystalline forms of atorvastatin HMGCR, LIPA, ACAT2 HMGCR 1/4885SLCO1B1 409/4885ABCB1 2283/4885
US-20100041731-A1 SOLID STATES OF ATORVASTATIN POTASSIUM HMGCR, PCSK9, APOB HMGCR 1/4885SLCO1B1 265/4885ABCB1 425/4885
US-20190038588-A1 NOVEL CLASS OF COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE FABP3, TNNI3, TNNT2 HMGCR 18/4885SLCO1B1 3158/4885ABCB1 672/4885
US-20210169838-A1 Novel class of compounds for the treatment of cardiovascular disease. FABP3, TNNI3, TNNT2 HMGCR 16/4885SLCO1B1 3185/4885ABCB1 476/4885
US-20120046335-A1 SOLID STATES OF ATORVASTATIN POTASSIUM HMGCR, PCSK9, APOB HMGCR 1/4885SLCO1B1 265/4885ABCB1 425/4885

“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.

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