SCHEMBL13100382

SCHEMBL13100382

COC(=O)C[C@H]1C[C@@H](/C=C/c2c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc2C(C)C)OC(C)(C)O1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 10/20 0.56
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ PDE6D O43924 1/20 0.50
▸ NR1I2 O75469 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ ABCC3 O15438 1/20 0.49
▸ ABCC4 O15439 1/20 0.49
▸ AKT1 P31749 2/20 0.43

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
SCHEMBL3259413 1.00 HMGCR (0.56) HMGCRHDAC1HDAC2HDAC6ALDH1A1
SCHEMBL3162910 0.93 HMGCR (0.53) HMGCRHDAC1HDAC2HDAC6ALDH1A1
SCHEMBL1978780 0.92 HMGCR (0.55) HMGCRHDAC1HDAC2HDAC6ALDH1A1
SCHEMBL30799327 0.92 HMGCR (0.55) HMGCRHDAC1HDAC2HDAC6ALDH1A1
SCHEMBL2050597 0.92 HMGCR (0.55) HMGCRHDAC1HDAC2HDAC6ALDH1A1
SCHEMBL2050594 0.92 HMGCR (0.55) HMGCRHDAC1HDAC2HDAC6ALDH1A1
SCHEMBL1978779 0.92 HMGCR (0.55) HMGCRHDAC1HDAC2HDAC6ALDH1A1
SCHEMBL7933980 0.92 HMGCR (0.55) HMGCRHDAC1HDAC2HDAC6ALDH1A1
SCHEMBL8239672 0.92 HMGCR (0.55) HMGCRHDAC1HDAC2HDAC6ALDH1A1
SCHEMBL246624 0.92 HMGCR (0.55) HMGCRHDAC1HDAC2HDAC6ALDH1A1

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-9676729-B2 Amine salts of pitavastatin and rosuvastatin DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2017-06-13 — — US disclosed
US-9676729-B2 Amine salts of pitavastatin and rosuvastatin DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2017-06-13 — — US disclosed
US-9676729-B2 Amine salts of pitavastatin and rosuvastatin DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2017-06-13 — — US disclosed
US-9630906-B2 Amine salts of pitavastatin and rosuvastatin DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2017-04-25 — — US disclosed
US-9630906-B2 Amine salts of pitavastatin and rosuvastatin DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2017-04-25 — — US disclosed
US-9630906-B2 Amine salts of pitavastatin and rosuvastatin DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2017-04-25 — — US disclosed
EP-2665722-B1 PROCESS FOR THE PREPARATION OF DIOL SULFONES DSM SINOCHEM PHARM NL BV (NL) 2016-08-17 — — EP disclosed
US-20160075664-A1 AMINE SALTS OF PITAVASTATIN AND ROSUVASTATIN Centrient Pharmaceuticals Netherlands B.V. (NL) 2016-03-17 — — US disclosed
US-20160075664-A1 AMINE SALTS OF PITAVASTATIN AND ROSUVASTATIN Centrient Pharmaceuticals Netherlands B.V. (NL) 2016-03-17 — — US disclosed
US-20160052864-A1 AMINE SALTS OF PITAVASTATIN AND ROSUVASTATIN Centrient Pharmaceuticals Netherlands B.V. (NL) 2016-02-25 — — US disclosed
US-8865900-B2 Methyltetrazole sulfides and sulfones DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2014-10-21 — — US disclosed
US-8865900-B2 Methyltetrazole sulfides and sulfones DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2014-10-21 — — US disclosed
WO-2014154856-A1 AMINE SALTS OF PRAVASTATIN AND ROSUVASTATIN DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2014-10-02 — — WO disclosed
WO-2014154857-A1 AMINE SALTS OF PITAVASTATIN AND ROSUVASTATIN DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2014-10-02 — — WO disclosed
US-20130303779-A1 PROCESS FOR THE PREPARATION OF DIOL SULFONES DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-11-14 — — 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-20130296563-A1 METHYLTETRAZOLE SULFIDES AND SULFONES DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-11-07 — — US disclosed
US-20130296563-A1 METHYLTETRAZOLE SULFIDES AND SULFONES DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-11-07 — — US disclosed
US-20100274014-A1 PROCESS FOR MANUFACTURING ROSUVASTATIN POTASSIUM AND CRYSTALLINE AND AMORPHOUS FORMS THEREOF CADILA HEALTHCARE LIMITED (IN) 2010-10-28 — — US disclosed
US-20100274014-A1 PROCESS FOR MANUFACTURING ROSUVASTATIN POTASSIUM AND CRYSTALLINE AND AMORPHOUS FORMS THEREOF CADILA HEALTHCARE LIMITED (IN) 2010-10-28 — — 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 (5 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-20100274014-A1 PROCESS FOR MANUFACTURING ROSUVASTATIN POTASSIUM AND CRYSTALLINE AND AMORPHOUS FORMS THEREOF PCSK9, HMGCR, PCSK6 HMGCR 2/4885HDAC1 379/4885HDAC2 369/4885
US-20130303779-A1 PROCESS FOR THE PREPARATION OF DIOL SULFONES STS, DHCR7, TST HMGCR 5/4885HDAC1 2305/4885HDAC2 2291/4885
US-20130296563-A1 METHYLTETRAZOLE SULFIDES AND SULFONES TST, STS, TPMT HMGCR 6/4885HDAC1 919/4885HDAC2 1632/4885
US-20160052864-A1 AMINE SALTS OF PITAVASTATIN AND ROSUVASTATIN HMGCR, PCSK9, COASY HMGCR 1/4885HDAC1 1503/4885HDAC2 2085/4885
US-20160075664-A1 AMINE SALTS OF PITAVASTATIN AND ROSUVASTATIN HMGCR, PCSK9, COASY HMGCR 1/4885HDAC1 1361/4885HDAC2 1812/4885

“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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