SCHEMBL1347123

SCHEMBL1347123

CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(/C=C/[C@@H]2C[C@H](CC(=O)O)OC(C)(C)O2)c(C(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 13/20 0.49
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ PDE6D O43924 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ PDE4D Q08499 1/20 0.38

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
SCHEMBL20699721 0.93 HMGCR (0.48) HMGCR
SCHEMBL2368045 0.92 HMGCR (0.47) HMGCR
SCHEMBL7952917 0.91 HMGCR (0.49) HMGCR
SCHEMBL1978777 0.91 HMGCR (0.48) HMGCR
SCHEMBL3167877 0.89 HMGCR (0.47) HMGCR
SCHEMBL3964715 0.89 HMGCR (0.47) HMGCR
SCHEMBL14243679 0.89 HMGCR (0.47) HMGCR
SCHEMBL20699715 0.89 HMGCR (0.48) HMGCR
Methylamine SCHEMBL3171804 0.89 HMGCR (0.46) HMGCR
SCHEMBL22582724 0.88 HMGCR (0.48) HMGCRALDH1A1CYP3A4PDE6DNR1I2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373609-B1 USE OF AMPHIPHILIC COMPOUNDS FOR CONTROLLED CRYSTALLIZATION OF STATINS AND STATIN INTERMEDIATES KRKA D D NOVO MESTO (SI) 2013-10-16 — — EP claimed
EP-2788342-B1 PROCESS FOR THE PREPARATION OF A STATIN PRECURSOR DSM SINOCHEM PHARM NL BV (NL) 2018-01-24 — — EP disclosed
EP-2788341-B1 PROCESS FOR THE PREPARATION OF A THIOPRECURSOR FOR STATINS DSM SINOCHEM PHARM NL BV (NL) 2017-04-05 — — EP disclosed
EP-2665722-B1 PROCESS FOR THE PREPARATION OF DIOL SULFONES DSM SINOCHEM PHARM NL BV (NL) 2016-08-17 — — EP disclosed
US-9150562-B2 Process for the preparation of diol sulfones DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2015-10-06 — — US disclosed
US-9126975-B2 Process for the preparation of statins in the presence of base DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2015-09-08 — — US disclosed
EP-2665723-B1 PROCESS FOR THE PREPARATION OF STATINS IN THE PRESENCE OF BASE DSM SINOCHEM PHARM NL BV (NL) 2015-07-22 — — EP disclosed
EP-2665721-B1 METHYLTETRAZOLE SULFIDES AND SULFONES DSM SINOCHEM PHARM NL BV (NL) 2015-07-08 — — EP disclosed
US-8987478-B2 Process for the preparation of a statin precursor DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2015-03-24 — — US disclosed
US-20140357864-A1 PROCESS FOR THE PREPARATION OF A STATIN PRECURSOR DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2014-12-04 — — US disclosed
US-20130303779-A1 PROCESS FOR THE PREPARATION OF DIOL SULFONES DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-11-14 — — US disclosed
US-20130296561-A1 PROCESS FOR THE PREPARATION OF STATINS IN THE PRESENCE OF BASE DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-11-07 — — US disclosed
US-8063213-B2 Reacting (1-6C)alkyl ester of (E)-(6-{2-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]vinyl}(4R,6S)-2,2-dimethyl[1,3]dioxan-4-yl) acetic acid with hydrochloric acid, salt formation with sodium or potassium hydroxide, basification, desolventization, salt exchange ASTRAZENECA UK LIMITED (GB) 2011-11-22 — — US disclosed
WO-2011104725-A2 HMG-COA REDUCTASE INHIBITORS AND PROCESS FOR THE PREPARATION THEREOF CADILA HEALTHCARE LIMITED (IN) 2011-09-01 — — WO disclosed
US-20080221323-A1 Production of Rosuvastatin Calcium Salt ASTRAZENECA UK LIMITED (GB) 2008-09-11 — — 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 (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-20140357864-A1 PROCESS FOR THE PREPARATION OF A STATIN PRECURSOR HMGCR, PCSK9, DHCR7 HMGCR 1/4885ALDH1A1 1385/4885CYP3A4 70/4885
US-20130303779-A1 PROCESS FOR THE PREPARATION OF DIOL SULFONES STS, DHCR7, TST HMGCR 5/4885ALDH1A1 927/4885CYP3A4 24/4885
US-20080221323-A1 Production of Rosuvastatin Calcium Salt HMGCR, INPP5D, INPPL1 HMGCR 1/4885ALDH1A1 2489/4885CYP3A4 2136/4885
US-20130296561-A1 PROCESS FOR THE PREPARATION OF STATINS IN THE PRESENCE OF BASE CYP4A11, HMGCR, PCSK9 HMGCR 2/4885ALDH1A1 1061/4885CYP3A4 8/4885

“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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