SCHEMBL538508

SCHEMBL538508

CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(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
SCHEMBL15475115 1.00 HMGCR (0.81) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL538509 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 19 patents. 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
WO-2010112222-A1 PROGRESSIVE EMULSION CRYSTALLIZATION KRKA, D.D., NOVO MESTO (SI) 2010-10-07 WO claimed
US-20090099371-A1 PROCESS FOR THE PREPARATION OF AMORPHOUS ATORVASTATIN CALCIUM SALT JUBILANT ORGANOSYS LTD. (IN) 2009-04-16 US claimed
EP-1979313-A1 PROCESS FOR THE PREPARATION OF AMORPHOUS ATORVASTATIN CALCIUM SALT Jubilant Organosys Limited (IN) 2008-10-15 EP claimed
WO-2007088553-A1 PROCESS FOR THE PREPARATION OF AMORPHOUS ATORVASTATIN CALCIUM SALT JUBILANT ORGANOSYS LIMITED (IN) 2007-08-09 WO claimed
WO-2017060885-A1 AN IMPROVED PROCESS FOR PREPARATION OF ATORVASTATIN OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LAURUS LABS PRIVATE LIMITED (IN) 2017-04-13 WO 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-8124790-B2 Preparation process useful in synthesis of atorvastatin MEDICHEM KOREA CO., LTD. (KR) 2012-02-28 US disclosed
EP-2413911-A1 PROGRESSIVE EMULSION CRYSTALLIZATION KRKA, D.D., Novo Mesto (SI) 2012-02-08 EP disclosed
US-20110112309-A1 PREPARATION PROCESS USEFUL IN SYNTHESIS OF ATORVASTATIN MEDICHEM KOREA CO., LTD. (KR) 2011-05-12 US disclosed
WO-2010112222-A1 PROGRESSIVE EMULSION CRYSTALLIZATION KRKA, D.D., NOVO MESTO (SI) 2010-10-07 WO disclosed
WO-2009084773-A2 PREPARATION PROCESS USEFUL IN SYNTHESIS OF ATORVASTATIN MEDICHEM KOREA. CO., LTD. (KR) 2009-07-09 WO disclosed
EP-2075246-A1 A process for preparation of amorphous form of atorvastatin hemi-calcium salt M. J. Institute of Research (IN) 2009-07-01 EP disclosed
US-20090099371-A1 PROCESS FOR THE PREPARATION OF AMORPHOUS ATORVASTATIN CALCIUM SALT JUBILANT ORGANOSYS LTD. (IN) 2009-04-16 US disclosed
EP-1979313-A1 PROCESS FOR THE PREPARATION OF AMORPHOUS ATORVASTATIN CALCIUM SALT Jubilant Organosys Limited (IN) 2008-10-15 EP disclosed
WO-2007088553-A1 PROCESS FOR THE PREPARATION OF AMORPHOUS ATORVASTATIN CALCIUM SALT JUBILANT ORGANOSYS LIMITED (IN) 2007-08-09 WO disclosed
WO-2006048888-A1 NOVEL PROCESS FOR THE PREPARATION OF AMORPHOUS ATORVASTATIN CALCIUM SALT JUBILANT ORGANOSYS LIMITED (IN) 2006-05-11 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 (2 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-20090099371-A1 PROCESS FOR THE PREPARATION OF AMORPHOUS ATORVASTATIN CALCIUM SALT HMGCR, ACSS2, NPC1L1 HMGCR 1/4885SLCO1B1 152/4885ABCB11 678/4885
US-20110112309-A1 PREPARATION PROCESS USEFUL IN SYNTHESIS OF ATORVASTATIN HMGCR, DHCR7, LIPA HMGCR 1/4885SLCO1B1 776/4885ABCB11 1251/4885

“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.