SCHEMBL1032

SCHEMBL1032

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

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 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 0.76
ABCC4 O15439 2/20 0.76
SLCO1B3 Q9NPD5 2/20 0.76
PDE6D O43924 4/20 0.68
ABCB1 P08183 1/20 0.58
ABCC2 Q92887 1/20 0.58

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
SCHEMBL6138508 1.00 HMGCR (0.81) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL13629742 0.94 HMGCR (0.77) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL13118084 0.94 HMGCR (0.77) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL3535164 0.94 HMGCR (0.91) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL3533997 0.94 HMGCR (0.91) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL3533994 0.94 HMGCR (0.91) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL13900416 0.93 HMGCR (0.78) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL13885721 0.92 HMGCR (0.75) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL28403477 0.91 HMGCR (0.68) HMGCRSLCO1B1ABCB11HDAC1HDAC2
SCHEMBL28403474 0.91 HMGCR (0.68) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 CN claimed
CN-111184717-A Composition containing mixture of pyrrolyl dihydroxy heptanoic acid derivatives and use thereof 黄泳华 2020-05-22 CN claimed
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 CN disclosed
CN-111184717-A Composition containing mixture of pyrrolyl dihydroxy heptanoic acid derivatives and use thereof 黄泳华 2020-05-22 CN disclosed
US-20050197501-A1 Processes for preparing calcium salt forms of statins TEVA PHARMACEUTICAL INDUSTRIES LTD. 2005-09-08 US disclosed
EP-1425287-A4 PROCESSES FOR PREPARING CALCIUM SALT FORMS OF STATINS TEVA PHARMA (IL) 2005-09-07 EP disclosed
US-20040176615-A1 Processes for preparing calcium salt forms of statins NIDDAM-HILDESHEIM VALERIE (IL) 2004-09-09 US disclosed
US-6777552-B2 FROM AN ESTER DERIVATIVE OR PROTECTED ESTER DERIVATIVE OF THE STATIN BY USING CALCIUM HYDROXIDE TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2004-08-17 US disclosed
EP-1425287-A1 PROCESSES FOR PREPARING CALCIUM SALT FORMS OF STATINS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-06-09 EP disclosed
US-20030114685-A1 Processes for preparing calcium salt forms of statins TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2003-06-19 US disclosed
WO-2003016317-A1 PROCESSES FOR PREPARING CALCIUM SALT FORMS OF STATINS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-02-27 WO 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-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-20050197501-A1 Processes for preparing calcium salt forms of statins HMGCR, PCSK9, LIPA HMGCR 1/4885SLCO1B1 806/4885ABCB11 1132/4885
US-20040176615-A1 Processes for preparing calcium salt forms of statins HMGCR, PCSK9, LIPA HMGCR 1/4885SLCO1B1 806/4885ABCB11 1132/4885
US-20030114685-A1 Processes for preparing calcium salt forms of statins HMGCR, PCSK9, LIPA HMGCR 1/4885SLCO1B1 806/4885ABCB11 1132/4885

“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.