Atorvastatin

Atorvastatin

SCHEMBL137842

CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].O.[Ca+2]

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HMGCR

The experimentally established mechanism targets of Atorvastatin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HMGCR known ✓ P04035 3/20 0.84
ABCB11 O95342 3/20 0.98
SLCO1B1 Q9Y6L6 3/20 0.98
ABCC3 O15438 2/20 0.98
ABCC4 O15439 2/20 0.98
SLCO1B3 Q9NPD5 2/20 0.98
HDAC1 Q13547 2/20 0.84
HDAC2 Q92769 2/20 0.84
HDAC6 Q9UBN7 2/20 0.84
NR1I2 O75469 1/20 0.84
RHOC P08134 1/20 0.84
CYP3A4 P08684 1/20 0.84
THRB P10828 1/20 0.84
NR1H4 Q96RI1 1/20 0.84
ABCG2 Q9UNQ0 1/20 0.84
PDE6D O43924 3/20 0.73

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 SCHEMBL28456 1.00 ABCB11 (0.98) ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Atorvastatin SCHEMBL27701543 1.00 ABCB11 (0.98) ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Atorvastatin SCHEMBL27850403 1.00 ABCB11 (0.98) ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Atorvastatin SCHEMBL249095 0.99 ABCB11 (0.97) ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Atorvastatin SCHEMBL3320399 0.99 ABCB11 (0.97) ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Atorvastatin SCHEMBL137843 0.99 ABCB11 (0.97) ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Atorvastatin SCHEMBL909379 0.99 ABCB11 (0.97) ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Atorvastatin SCHEMBL28018746 0.99 ABCB11 (0.97) ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Atorvastatin SCHEMBL3832 0.99 ABCB11 (1.00) ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Atorvastatin SCHEMBL6064039 0.99 ABCB11 (1.00) ABCB11SLCO1B1ABCC3ABCC4SLCO1B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220280468-A1 METHOD FOR PREVENTING OCCURRENCE OF CARDIOVASCULAR EVENT IN MULTIPLE RISK PATIENT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2022-09-08 US claimed
CN-114555605-A Polymorphs of acraprinib and processes for making the same 庄信万丰股份有限公司 2022-05-27 CN claimed
US-20210379004-A1 METHOD FOR PREVENTING OCCURRENCE OF CARDIOVASCULAR EVENT IN MULTIPLE RISK PATIENT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2021-12-09 US claimed
US-20170273928-A1 COMPOSITION FOR PREVENTING THE OCCURRENCE OF CARDIOVASCULAR EVENT IN MULTIPLE RISK PATIENT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-09-28 US claimed
US-9700537-B2 Composition for preventing the occurrence of cardiovascular event in multiple risk patient MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-07-11 US claimed
US-20170151206-A1 COMPOSITION FOR PREVENTING THE OCCURRENCE OF CARDIOVASCULAR EVENT IN MULTIPLE RISK PATIENT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-06-01 US claimed
CN-102526733-B Composition for preventing onset and/or recurrence of cardiovascular events MOCHIDA PHARM CO LTD 2014-09-03 CN claimed
CN-101217952-B Composition for preventing the onset of cardiovascular events MOCHIDA PHARM CO LTD 2014-03-12 CN claimed
US-8367725-B2 Composition and/or method for preventing onset and/or recurrence of cardiovascular events MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-02-05 US claimed
CN-102526733-A Composition for preventing onset and/or recurrence of cardiovascular events MOCHIDA PHARM CO LTD 2012-07-04 CN claimed
US-20040242899-A1 Crystalline forms VI and VII of atrovastatin calcium REDDY SATYANARAYANA (IN) 2004-12-02 US claimed
EP-1472220-A1 CRYSTALLINE (R-(R*,R*))-2-(4-FLUOROPHENYL)-BETA,DELTA-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-1H-PYRROLE-HEPTANOIC ACID CALCIUM SALT (2:1) Ivax C.R., a.s. (CZ) 2004-11-03 EP claimed
EP-1414796-A1 CRYSTALLINE FORMS VI AND VII OF ATORVASTATIN CALCIUM Dr. Reddy's Laboratories Ltd. (IN) 2004-05-06 EP claimed
WO-2003050085-A1 CRYSTALLINE [R-(R*,R*)]-2-(4-FLUOROPHENYL)-β,δ-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO)CARBONYL]-1H-PYRROLE-HEPTANOIC ACID CALCIUM SALT (2:1) IVAX CORPORATION (US) 2003-06-19 WO claimed
WO-2003011826-A1 CRYSTALLINE FORMS VI AND VII OF ATORVASTATIN CALCIUM DR. REDDY'S LABORATORIES LTD. (IN) 2003-02-13 WO claimed
CN-1087288-C Crystalline [R-(R',R')]-2-(4-fluorophenyl)-beta, delta-dihydroxy-5-(5-methylethyl)-3-phenyl-4-(phenylamino) carbonyl]-1H-pyrole-1-heptanoic acid hemi calcium salt (atorvastatin) WARNER LAMBERT CO (US) 2002-07-10 CN claimed
EP-0848705-B1 CRYSTALLINE R-(R*,R*)]-2-(4-FLUOROPHENYL)-BETA,DELTA-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4- (PHENYLAMINO)CARBONYL]-1H-PYRROLE-1-HEPTANOIC ACID HEMI CALCIUM SALT (ATORVASTATIN) WARNER LAMBERT CO (US) 2001-11-07 EP claimed
EP-0848704-B1 FORM III CRYSTALLINE [R-(R*,R*)]-2-(4-FLUOROPHENYL)-BETA-DELTA-DIHYDROXY-5-(1-METHYL-ETHYL)-3-PHENYL-4-[(PHENYLAMINO)CARBONYL]-1H-PYRROLE-1-HEPTANOIC ACID HEMI CALCIUM SALT (ATORVASTATIN) WARNER LAMBERT CO (US) 2001-10-24 EP claimed
US-6121461-A ATORVASTATIN HYDRATE; HMG-COA REDUCTASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-09-19 US claimed
US-5969156-A HYPOLIPIDEMIC AND HYPOCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1999-10-19 US claimed

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-20040242899-A1 Crystalline forms VI and VII of atrovastatin calcium ANXA6, FABP3, HMGCR HMGCR 3/4885ABCB11 3456/4885SLCO1B1 1406/4885

“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.