SCHEMBL4020679

SCHEMBL4020679

CC(C)n1c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)cc2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 10/20 0.52
▸ CYP2C9 P11712 3/20 0.51
▸ SIRT6 Q8N6T7 2/20 0.51
▸ ABCC3 O15438 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ PGR P06401 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ RXRA P19793 1/20 0.51
▸ TBXA2R P21731 1/20 0.51
▸ CCKAR P32238 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ NR4A2 P43354 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ SLC10A1 Q14973 1/20 0.51

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
SCHEMBL14544900 1.00 HMGCR (0.52) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL4020685 1.00 HMGCR (0.52) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL4901682 1.00 HMGCR (0.52) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL4901679 1.00 HMGCR (0.52) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL9274196 1.00 HMGCR (0.52) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL16476432 0.92 HMGCR (0.43) HMGCR
SCHEMBL9763505 0.91 HMGCR (0.52) HMGCR
SCHEMBL1660810 0.91 HMGCR (0.52) HMGCR
SCHEMBL9763539 0.91 HMGCR (0.52) HMGCR
SCHEMBL5597970 0.91 HMGCR (0.52) HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210169838-A1 Novel class of compounds for the treatment of cardiovascular disease. STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2021-06-10 — — US disclosed
US-20210169838-A1 Novel class of compounds for the treatment of cardiovascular disease. STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2021-06-10 — — US disclosed
US-20190038588-A1 NOVEL CLASS OF COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2019-02-07 — — US disclosed
US-20190038588-A1 NOVEL CLASS OF COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2019-02-07 — — US disclosed
WO-2017137469-A1 NOVEL CLASS OF COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2017-08-17 — — WO disclosed
US-7645747-B2 Improved pharmacokinetic properties, oral bioavailability; side effect reduction GILEAD SCIENCES, INC. (US) 2010-01-12 — — US disclosed
US-7645747-B2 Improved pharmacokinetic properties, oral bioavailability; side effect reduction GILEAD SCIENCES, INC. (US) 2010-01-12 — — 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
EP-1472228-B1 PROCESS FOR THE MANUFACTURE OF HMG-COA REDUCTASE INHIBITORS NOVARTIS AG (CH) 2009-03-25 — — EP disclosed
US-20080182873-A1 PROCESS FOR THE MANUFACTURE OF HMG-COA REDUCTASE INHIBITORS ACEMOGLU MURAT 2008-07-31 — — US disclosed
US-20080182873-A1 PROCESS FOR THE MANUFACTURE OF HMG-COA REDUCTASE INHIBITORS ACEMOGLU MURAT 2008-07-31 — — US disclosed
US-7371865-B2 Process for the manufacture of HMG-CoA reductase inhibitors NOVARTIS PHARMACEUTICALS CORPORATION (US) 2008-05-13 — — US disclosed
US-7371865-B2 Process for the manufacture of HMG-CoA reductase inhibitors NOVARTIS PHARMACEUTICALS CORPORATION (US) 2008-05-13 — — US disclosed
US-7371865-B2 Process for the manufacture of HMG-CoA reductase inhibitors NOVARTIS PHARMACEUTICALS CORPORATION (US) 2008-05-13 — — US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 — — US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 — — US disclosed
US-20050070605-A1 Process for the manufacture of hmg-coa reductase inhibitors ACEMOGLU MURAT (CH) 2005-03-31 — — US disclosed
EP-0379917-B1 Optically active (meth)acrylic-acid derivatives, their preparation, their polymerisation into optically active polymers and their use BAYER AG (DE) 1995-08-09 — — EP disclosed
US-5274167-A A N-(meth)acryloyl amino acid amide BAYER AKTIENGESELLSCHAFT (DE) 1993-12-28 — — 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 (6 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-20080182873-A1 PROCESS FOR THE MANUFACTURE OF HMG-COA REDUCTASE INHIBITORS HMGCR, COASY, DHCR7 HMGCR 1/4885CYP2C9 155/4885SIRT6 429/4885
US-20190038588-A1 NOVEL CLASS OF COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE FABP3, TNNI3, TNNT2 HMGCR 18/4885CYP2C9 4386/4885SIRT6 166/4885
US-20080039625-A1 Screening Methods CBR3, ZKSCAN2, CRBN HMGCR 980/4885CYP2C9 26/4885SIRT6 2321/4885
US-20050070605-A1 Process for the manufacture of hmg-coa reductase inhibitors HMGCR, COASY, DHCR7 HMGCR 1/4885CYP2C9 155/4885SIRT6 429/4885
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES PHOSPHO1, G6PC1, PC HMGCR 105/4885CYP2C9 1928/4885SIRT6 703/4885
US-20210169838-A1 Novel class of compounds for the treatment of cardiovascular disease. FABP3, TNNI3, TNNT2 HMGCR 16/4885CYP2C9 4070/4885SIRT6 170/4885

“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.

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