Sugi Predict

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SCHEMBL697201

SCHEMBL697201

CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/C=O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 6/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ PDE6D O43924 1/20 0.62
▸ NR1I2 O75469 1/20 0.62
▸ PDE4D Q08499 1/20 0.62
▸ ABCC3 O15438 1/20 0.60
▸ ABCC4 O15439 1/20 0.60
▸ HDAC1 Q13547 1/20 0.59
▸ HDAC2 Q92769 1/20 0.59
▸ HDAC6 Q9UBN7 1/20 0.59
▸ AKT1 P31749 2/20 0.47

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
SCHEMBL697202 1.00 HMGCR (0.62) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL10305922 0.89 HMGCR (0.64) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL696979 0.89 HMGCR (0.64) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL696978 0.89 HMGCR (0.64) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL10129259 0.89 HMGCR (0.48) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL13538 0.89 HMGCR (0.61) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL12074037 0.88 HMGCR (0.68) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL8193721 0.88 HMGCR (0.63) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL18269414 0.86 HMGCR (0.62) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL22604013 0.86 HMGCR (0.61) 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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576518-B1 IMPROVED PROCESS FOR THE PREPARATION OF PROPENAL INTERMEDIATE AND DERIVATIVES THEREOF PHARMATHEN SA (GR) 2016-08-10 — — EP claimed
US-8575343-B2 Process for the preparation of a propenal intermediate and derivatives thereof PHARMATHEN S.A. (GR) 2013-11-05 — — US claimed
EP-2576518-A1 IMPROVED PROCESS FOR THE PREPARATION OF PROPENAL INTERMEDIATE AND DERIVATIVES THEREOF Pharmathen S.A. (GR) 2013-04-10 — — EP claimed
US-20130066074-A1 PROCESS FOR THE PREPARATION OF PROPENAL INTERMEDIATE AND DERIVATIVES THEREOF PHARMATHEN S.A. (GR) 2013-03-14 — — US claimed
US-8394956-B2 Process for preparing pyrimidine propenaldehyde AUROBINDO PHARMA LTD. (IN) 2013-03-12 — — US claimed
US-8212034-B2 Process for preparing rosuvastatin calcium AUROBINDO PHARMA LTD. (IN) 2012-07-03 — — US claimed
WO-2011154015-A1 IMPROVED PROCESS FOR THE PREPARATION OF PROPENAL INTERMEDIATE AND DERIVATIVES THEREOF PHARMATHEN S.A. (GR) 2011-12-15 — — WO claimed
EP-2350025-A1 AN IMPROVED PROCESS FOR PREPARING PYRIMIDINE PROPENALDEHYDE Aurobindo Pharma Limited (IN) 2011-08-03 — — EP claimed
US-20110178296-A1 Process for preparing pyrimidine propenaldehyde MALLELA SAMBHU PRASAD SARMA 2011-07-21 — — US claimed
US-20100228028-A1 PROCESSES FOR THE MANUFACTURE OF ROSUVASTATIN AND INTERMEDIATES ASTRAZENECA UK LIMITED (GB) 2010-09-09 — — US claimed
WO-2010038124-A1 AN IMPROVED PROCESS FOR PREPARING PYRIMIDINE PROPENALDEHYDE AUROBINDO PHARMA LIMITED (IN) 2010-04-08 — — WO claimed
US-20100029940-A1 PROCESS FOR PREPARING ROSUVASTATIN CALCIUM AUROBINDO PHARMA LTD (IN) 2010-02-04 — — US claimed
WO-2008072078-A1 AN IMPROVED PROCESS FOR PREPARING ROSUVASTATIN CACLIUM AUROBINDO PHARMA LIMITED (IN) 2008-06-19 — — WO claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
US-20190315696-A1 ROSUVASTATIN CALCIUM AND PROCESS FOR PRODUCING INTERMEDIATE THEREOF API CORPORATION (JP) 2019-10-17 — — US disclosed
EP-1863773-A1 PROCESS FOR PREPARATION OF ROSUVASTATIN UNICHEM LABORATORIES LIMITED (IN) 2007-12-12 — — EP disclosed
WO-2007007119-A1 PROCESSES FOR THE MANUFACTURE OF ROSUVASTATIN AND INTERMEDIATES ASTRAZENECA UK LIMITED (GB) 2007-01-18 — — WO disclosed
WO-2006100689-A1 PROCESS FOR PREPARATION OF ROSUVASTATIN UNICHEM LABORATORIES LIMITED (IN) 2006-09-28 — — WO disclosed
WO-2006100689-A1 PROCESS FOR PREPARATION OF ROSUVASTATIN UNICHEM LABORATORIES LIMITED (IN) 2006-09-28 — — WO 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-20100228028-A1 PROCESSES FOR THE MANUFACTURE OF ROSUVASTATIN AND INTERMEDIATES HMGCR, PCSK9, CYP4A11 HMGCR 1/4885ALDH1A1 284/4885CYP3A4 43/4885
US-20130066074-A1 PROCESS FOR THE PREPARATION OF PROPENAL INTERMEDIATE AND DERIVATIVES THEREOF NOX4, HMGCR, NOX5 HMGCR 2/4885ALDH1A1 294/4885CYP3A4 66/4885
US-20110178296-A1 Process for preparing pyrimidine propenaldehyde DPYD, NOX4, RPIA HMGCR 5/4885ALDH1A1 36/4885CYP3A4 63/4885
US-20100029940-A1 PROCESS FOR PREPARING ROSUVASTATIN CALCIUM CACNA1E, SLC5A6, QDPR HMGCR 67/4885ALDH1A1 1563/4885CYP3A4 951/4885
US-20190315696-A1 ROSUVASTATIN CALCIUM AND PROCESS FOR PRODUCING INTERMEDIATE THEREOF HMGCR, COASY, PCSK9 HMGCR 1/4885ALDH1A1 2111/4885CYP3A4 163/4885

“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.