SCHEMBL538509

SCHEMBL538509

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

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.81
SLCO1B1 Q9Y6L6 4/20 0.81
ABCB11 O95342 3/20 0.81
HDAC1 Q13547 2/20 0.81
HDAC2 Q92769 2/20 0.81
HDAC6 Q9UBN7 2/20 0.81
NR1I2 O75469 1/20 0.81
RHOC P08134 1/20 0.81
CYP3A4 P08684 1/20 0.81
THRB P10828 1/20 0.81
NR1H4 Q96RI1 1/20 0.81
ABCG2 Q9UNQ0 1/20 0.81
ABCC3 O15438 2/20 0.78
ABCC4 O15439 2/20 0.78
SLCO1B3 Q9NPD5 2/20 0.78
PDE6D O43924 4/20 0.70
ABCB1 P08183 1/20 0.55
ABCC2 Q92887 1/20 0.55

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
SCHEMBL538508 1.00 HMGCR (0.81) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL15475115 1.00 HMGCR (0.81) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL12520033 1.00 HMGCR (0.81) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL518254 0.95 HMGCR (0.73) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL13450913 0.95 HMGCR (0.72) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL21637553 0.94 PDE6D (0.76) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL8931058 0.94 HMGCR (0.86) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL469704 0.92 HMGCR (0.68) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL9976581 0.92 HMGCR (0.86) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL5240504 0.92 HMGCR (0.86) HMGCRSLCO1B1ABCB11HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2413911-B1 PROGRESSIVE EMULSION CRYSTALLIZATION KRKA D D NOVO MESTO (SI) 2014-02-19 EP claimed
EP-2413911-A1 PROGRESSIVE EMULSION CRYSTALLIZATION KRKA, D.D., Novo Mesto (SI) 2012-02-08 EP claimed
US-20100260851-A1 Novel Polymorph of Atorvastatin Calcium and Use Thereof for the Preparation of Amorphous Atorvastatin Calcium ACTAVIS GROUP PTC EHF (IS) 2010-10-14 US claimed
WO-2010112222-A1 PROGRESSIVE EMULSION CRYSTALLIZATION KRKA, D.D., NOVO MESTO (SI) 2010-10-07 WO claimed
US-20100197941-A1 Process for the production of atorvastatin calcium in amorphous form RANBAXY LABORATORIES LIMITED (IN) 2010-08-05 US claimed
EP-2185527-A2 NOVEL POLYMORPH OF ATORVASTATIN CALCIUM AND USE THEREOF FOR THE PREPARATION OF AMORPHOUS ATORVASTATIN CALCIUM Actavis Group PTC EHF (IS) 2010-05-19 EP claimed
WO-2009007856-A2 NOVEL POLYMORPH OF ATORVASTATIN CALCIUM AND USE THEREOF FOR THE PREPARATION OF AMORPHOUS ATORVASTATIN CALCIUM ACTAVIS GROUP PTC EHF (IS) 2009-01-15 WO claimed
EP-1659110-A1 Process for the production of atorvastatin calcium un amorphous form Ranbaxy Laboratories Limited (IN) 2006-05-24 EP claimed
WO-2020016903-A1 AN IMPROVED AND COMMERCIALLY VIABLE PROCESS FOR PREPARATION OF PYRROLE DERIVATIVES WITH IMPROVED IMPURITY PROFILE & MINIMISATION OF UNIT OPERATIONS. ARCH PHARMALABS LIMITED (IN) 2020-01-23 WO disclosed
US-20140080984-A1 HIGHLY ACTIVE METATHESIS CATALYSTS SELECTIVE FOR ROMP AND RCM REACTIONS ZANNA SCITECH CO., LTD. (CN) 2014-03-20 US disclosed
EP-2413911-B1 PROGRESSIVE EMULSION CRYSTALLIZATION KRKA D D NOVO MESTO (SI) 2014-02-19 EP disclosed
EP-2413911-B1 PROGRESSIVE EMULSION CRYSTALLIZATION KRKA D D NOVO MESTO (SI) 2014-02-19 EP disclosed
EP-2240442-B1 PREPARATION PROCESS USEFUL IN SYNTHESIS OF ATORVASTATIN MEDICHEM KOREA CO LTD (KR) 2012-06-20 EP disclosed
US-8178697-B2 Method for the preparation of atorvastatin and intermediates used therein CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2012-05-15 US disclosed
US-20090018182-A1 Crystalline forms of atorvastatin TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-01-15 US disclosed
WO-2008117154-A2 STABLE PHARMACEUTICAL COMPOSITIONS OF HMG-COA REDUCTASE INHIBITOR AND PROCESS FOR PREPARATION THEREOF TORRENT PHARMACEUTICALS LIMITED (IN) 2008-10-02 WO disclosed
WO-2008053312-A2 PROCESS FOR PREPARING AMORPHOUS ATORVASTATIN HEMI CALCIUM SALT AND ITS INTERMEDIATE CADILA PHARMACEUTICALS LIMITED (IN) 2008-05-08 WO disclosed
US-20060199855-A1 Process for producing atorvastatin hemicalcium APOTEX PHARMACHEM INC. 2006-09-07 US disclosed
EP-1659110-A1 Process for the production of atorvastatin calcium un amorphous form Ranbaxy Laboratories Limited (IN) 2006-05-24 EP disclosed
EP-1577297-A1 Process for the production of atorvastatin calcium in amorphous form RANBAXY LABORATORIES, LTD. (IN) 2005-09-21 EP 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 (4 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-20060199855-A1 Process for producing atorvastatin hemicalcium DHCR7, ACSL3, NR1H3 HMGCR 4/4885SLCO1B1 292/4885ABCB11 167/4885
US-20090018182-A1 Crystalline forms of atorvastatin HMGCR, LIPA, ACAT2 HMGCR 1/4885SLCO1B1 409/4885ABCB11 2387/4885
US-20100260851-A1 Novel Polymorph of Atorvastatin Calcium and Use Thereof for the Preparation of Amorphous Atorvastatin Calcium HMGCR, CYP4A11, CACNA1H HMGCR 1/4885SLCO1B1 525/4885ABCB11 480/4885
US-20100197941-A1 Process for the production of atorvastatin calcium in amorphous form HMGCR, CACYBP, SARAF HMGCR 1/4885SLCO1B1 433/4885ABCB11 2194/4885

“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.