SCHEMBL9895348

SCHEMBL9895348

CCOC(=O)CC(=O)CC(O)/C=C/c1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.68
ALDH1A1 P00352 1/20 0.68
CYP3A4 P08684 1/20 0.68
PDE6D O43924 1/20 0.68
NR1I2 O75469 1/20 0.68
PDE4D Q08499 1/20 0.68
HDAC1 Q13547 1/20 0.67
HDAC2 Q92769 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
ABCC3 O15438 1/20 0.66
ABCC4 O15439 1/20 0.66

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
SCHEMBL3084409 1.00 HMGCR (0.68) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL1164445 1.00 HMGCR (0.68) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL3084408 1.00 HMGCR (0.68) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL18269420 0.94 HMGCR (0.66) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL18260132 0.94 HMGCR (0.66) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL18260135 0.94 HMGCR (0.66) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL17877789 0.91 HMGCR (0.69) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL4600766 0.90 HMGCR (0.67) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL4159337 0.89 HMGCR (0.78) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL4209321 0.89 HMGCR (0.78) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846915-B2 Process for the manufacture of rosuvastatin calcium using crystalline rosuvastatin ethyl ester AUROBINDO PHARMA LTD. (IN) 2014-09-30 US disclosed
US-20120149905-A1 PROCESS FOR THE MANUFACTURE OF ROSUVASTATIN CALCIUM USING CRYSTALLINE ROSUVASTATIN ETHYL ESTER AUROBINDO PHARMA LTD (IN) 2012-06-14 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 (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-20120149905-A1 PROCESS FOR THE MANUFACTURE OF ROSUVASTATIN CALCIUM USING CRYSTALLINE ROSUVASTATIN ETHYL ESTER HMGCR, CYP4A11, PCSK9 HMGCR 1/4885ALDH1A1 3076/4885CYP3A4 20/4885

“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.