SCHEMBL246477

SCHEMBL246477

CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1CCl

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP3A4 P08684 1/20 0.55
PDE6D O43924 1/20 0.55
NR1I2 O75469 1/20 0.55
PDE4D Q08499 1/20 0.55
AKT1 P31749 2/20 0.54
ABCC3 O15438 1/20 0.53
ABCC4 O15439 1/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
GCGR P47871 3/20 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
SCHEMBL3445256 0.89 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL29482554 0.89 HMGCR (0.58) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL28860507 0.89 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL28494229 0.89 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2690 0.89 HMGCR (0.58) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL4914199 0.89 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL246597 0.88 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL7942664 0.88 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL29482555 0.88 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2169086 0.88 AKT1 (0.56) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015037018-A1 PROCESS FOR THE PREPARATION OF ROSUVASTATIN VIA NOVEL INTERMEDIATES IND-SWIFT LABORATORIES LIMITED (IN) 2015-03-19 WO disclosed
US-8476432-B2 Process for the preparation of HMG-COA reductase inhibitors and intermediates thereof YUHAN CORPORATION (KR) 2013-07-02 US disclosed
EP-2588474-A2 PROCESS FOR THE PREPARATION OF HMG-COA REDUCTASE INHIBITORS AND INTERMEDIATES THEREOF Yuhan Corporation (KR) 2013-05-08 EP disclosed
US-20130096303-A1 PROCESS FOR THE PREPARATION OF HMG-COA REDUCTASE INHIBITORS AND INTERMEDIATES THEREOF YUHAN CORPORATION (KR) 2013-04-18 US disclosed
WO-2012002741-A2 PROCESS FOR THE PREPARATION OF HMG-COA REDUCTASE INHIBITORS AND INTERMEDIATES THEREOF YUHAN CORPORATION (KR) 2012-01-05 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 (1 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-20130096303-A1 PROCESS FOR THE PREPARATION OF HMG-COA REDUCTASE INHIBITORS AND INTERMEDIATES THEREOF HMGCR, COASY, PCSK9 HMGCR 1/4885ALDH1A1 2644/4885CYP3A4 67/4885

“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.