SCHEMBL1290

SCHEMBL1290

CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC=O

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.69
SLCO1B1 Q9Y6L6 4/20 0.69
ABCB11 O95342 3/20 0.69
HDAC1 Q13547 2/20 0.69
HDAC2 Q92769 2/20 0.69
HDAC6 Q9UBN7 2/20 0.69
NR1I2 O75469 1/20 0.69
RHOC P08134 1/20 0.69
CYP3A4 P08684 1/20 0.69
THRB P10828 1/20 0.69
NR1H4 Q96RI1 1/20 0.69
ABCG2 Q9UNQ0 1/20 0.69
ABCC3 O15438 2/20 0.67
ABCC4 O15439 2/20 0.67
SLCO1B3 Q9NPD5 2/20 0.67
ABCB1 P08183 1/20 0.63
ABCC2 Q92887 1/20 0.63
PDE6D O43924 4/20 0.59

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
SCHEMBL27925208 0.94 HMGCR (0.67) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL13847793 0.91 HMGCR (0.59) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL12073345 0.89 HMGCR (0.72) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL12192335 0.88 HMGCR (0.77) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL5809239 0.88 HMGCR (0.71) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL28543389 0.87 HMGCR (0.63) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL5806847 0.87 HMGCR (0.70) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL5809438 0.87 HMGCR (0.70) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL10054698 0.87 HMGCR (0.69) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL14318919 0.86 HMGCR (0.69) 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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194867-A1 PROCESS FOR THE PREPARATION OF ATORVASTATIN AND INTERMEDIATES APOTEX PHARMACHEM INC. 2006-08-31 US claimed
US-8124790-B2 Preparation process useful in synthesis of atorvastatin MEDICHEM KOREA CO., LTD. (KR) 2012-02-28 US disclosed
US-20110112309-A1 PREPARATION PROCESS USEFUL IN SYNTHESIS OF ATORVASTATIN MEDICHEM KOREA CO., LTD. (KR) 2011-05-12 US disclosed
US-7812179-B2 Process for the preparation of atorvastatin and intermediates APOTEX PHARMACHEM INC. (CA) 2010-10-12 US disclosed
US-7812179-B2 Process for the preparation of atorvastatin and intermediates APOTEX PHARMACHEM INC. (CA) 2010-10-12 US disclosed
US-7812179-B2 Process for the preparation of atorvastatin and intermediates APOTEX PHARMACHEM INC. (CA) 2010-10-12 US disclosed
US-7615647-B2 Process for producing atorvastatin hemicalcium APOTEX PHARMACHEM INC. (CA) 2009-11-10 US disclosed
US-7615647-B2 Process for producing atorvastatin hemicalcium APOTEX PHARMACHEM INC. (CA) 2009-11-10 US disclosed
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES CHEN JAMES M 2009-05-21 US disclosed
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES CHEN JAMES M 2009-05-21 US disclosed
US-5280126-A Process for trans-6-[2-(substituted-pyrrol-1-yl)alkyl]pyran-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT COMPANY (US) 1994-01-18 US disclosed
US-5273995-A [R-(R*R*)]-2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl-3-phenyl-4-[(phenylamino) carbonyl]- 1H-pyrrole-1-heptanoic acid, its lactone form and salts thereof WARNER-LAMBERT COMPANY (US) 1993-12-28 US disclosed
US-5245047-A Process for trans-6-[2-(substituted-pyrrol-1-yl)alkyl]pyran-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT COMPANY (US) 1993-09-14 US disclosed
US-5216174-A Process for trans-6-[12-(substituted-pyrrol-1-yl)alkyl]pyran-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT CO. (US) 1993-06-01 US disclosed
US-5149837-A Process for trans-6-[2-(substituted-pyrrol-1-yl)alkyl]pyran-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT COMPANY (US) 1992-09-22 US disclosed
US-5124482-A Process for trans-6-(2-substituted-pyrrol-1-yl)alkyl)pyran-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT COMPANY (US) 1992-06-23 US disclosed
US-5097045-A Process for trans-6-[2-(substituted-pyrrol-1-yl)alkyl]pyran-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT COMPANY (US) 1992-03-17 US disclosed
US-5003080-A Process for trans-6-(2-(substituted-pyrrol-1-yl)alkyl)pryan-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT COMPANY (US) 1991-03-26 US disclosed
EP-0330172-A2 Improved process for trans-6-[2-(substituted-pyrol-1-yl)alkyl]pyran-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT COMPANY (US) 1989-08-30 EP disclosed
US-4681893-A Trans-6-[2-(3- or 4-carboxamido-substituted pyrrol-1-yl)alkyl]-4-hydroxypyran-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT COMPANY (US) 1987-07-21 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 (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-20110112309-A1 PREPARATION PROCESS USEFUL IN SYNTHESIS OF ATORVASTATIN HMGCR, DHCR7, LIPA HMGCR 1/4885SLCO1B1 776/4885ABCB11 1251/4885
US-20060194867-A1 PROCESS FOR THE PREPARATION OF ATORVASTATIN AND INTERMEDIATES ACSL1, ACSL3, ACSL6 HMGCR 5/4885SLCO1B1 685/4885ABCB11 1442/4885
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES PHOSPHO1, G6PC1, PC HMGCR 105/4885SLCO1B1 664/4885ABCB11 903/4885

“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.