Atorvastatin

Atorvastatin

SCHEMBL6064039

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-].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-].[Ca+2].[Ca+2]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 0.86
ABCB11 O95342 3/20 1.00
SLCO1B1 Q9Y6L6 3/20 1.00
ABCC3 O15438 2/20 1.00
ABCC4 O15439 2/20 1.00
SLCO1B3 Q9NPD5 2/20 1.00
HDAC1 Q13547 2/20 0.86
HDAC2 Q92769 2/20 0.86
HDAC6 Q9UBN7 2/20 0.86
NR1I2 O75469 1/20 0.86
RHOC P08134 1/20 0.86
CYP3A4 P08684 1/20 0.86
THRB P10828 1/20 0.86
NR1H4 Q96RI1 1/20 0.86
ABCG2 Q9UNQ0 1/20 0.86
PDE6D O43924 3/20 0.74

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 SCHEMBL7037659 1.00 ABCB11 (1.00) ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Atorvastatin SCHEMBL7703363 1.00 ABCB11 (1.00) ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Atorvastatin SCHEMBL3832 1.00 ABCB11 (1.00) ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Atorvastatin SCHEMBL5072672 1.00 ABCB11 (1.00) ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Atorvastatin SCHEMBL7102147 0.99 ABCB11 (0.98) ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Atorvastatin SCHEMBL5077129 0.99 ABCB11 (0.98) ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Atorvastatin SCHEMBL4668716 0.99 ABCB11 (0.98) ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Atorvastatin SCHEMBL153886 0.99 ABCB11 (0.98) ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Atorvastatin SCHEMBL1535888 0.99 ABCB11 (0.98) ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Atorvastatin SCHEMBL28456 0.99 ABCB11 (0.98) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11975108-B2 Pharmaceutical formulations of statins and omega-3 fatty acids for encapsulation CATALENT ONTARIO LIMITED (CA) 2024-05-07 US disclosed
US-20230233472-A1 METHODS OF PREPARING MULTIPHASE STATIN AND OMEGA-3 FATTY ACID SOFT CAPSULE FORMULATIONS CATALENT ONTARIO LIMITED (CA) 2023-07-27 US disclosed
EP-2575787-B1 PHARMACEUTICAL FORMULATIONS OF STATINS AND OMEGA-3 FATTY ACIDS FOR ENCAPSULATION CATALENT ONTARIO LTD (CA) 2020-05-27 EP disclosed
US-8822703-B2 Salt forms of [R-(R*,R*)]-2-(4-fluorophenyl)-beta, delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4[phenylamino) carbonyl]-1H-pyrrole-1-heptanoic acid PFIZER INC. (US) 2014-09-02 US disclosed
US-20140005384-A1 Salt forms of [R-(R*,R*)]-2-(4-fluorophenyl)-beta, delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid PFIZER INC. (US) 2014-01-02 US disclosed
US-20130115281-A1 PHARMACEUTICAL FORMULATIONS OF STATINS AND OMEGA-3 FATTY ACIDS FOR ENCAPSULATION ACCUCAPS INDUSTRIES LIMITED (CA) 2013-05-09 US disclosed
EP-2575787-A1 PHARMACEUTICAL FORMULATIONS OF STATINS AND OMEGA-3 FATTY ACIDS FOR ENCAPSULATION Accucaps Industries Limited (CA) 2013-04-10 EP disclosed
US-20060034831-A1 Combination therapy for diabetes, obesity and cardiovascular diseases using GDF-8 inhibitors WYETH 2006-02-16 US disclosed
US-20020198202-A1 Combination of a PTPase inhibitor and an antilipemic agent WYETH (US) 2002-12-26 US disclosed
WO-2000069446-A1 COMBINATION THERAPY FOR TREATING HYPERCHOLESTEROLEMIA GELTEX PHARMACEUTICALS, INC. (US) 2000-11-23 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-20060034831-A1 Combination therapy for diabetes, obesity and cardiovascular diseases using GDF-8 inhibitors DPP8, IGFBP1, IGFBP5 HMGCR 634/4885ABCB11 2680/4885SLCO1B1 2728/4885
US-20020198202-A1 Combination of a PTPase inhibitor and an antilipemic agent PTPN6, PTPN1, PNLIP HMGCR 53/4885ABCB11 440/4885SLCO1B1 2245/4885
US-20140005384-A1 Salt forms of [R-(R*,R*)]-2-(4-fluorophenyl)-beta, delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid HMGCR, BPHL, GRHPR HMGCR 1/4885ABCB11 1501/4885SLCO1B1 1921/4885

“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.