SCHEMBL3885922

SCHEMBL3885922

CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1C=CCCCC(O)C(O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

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 0.58
ABCC4 O15439 1/20 0.58
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57

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
SCHEMBL3884325 0.99 HMGCR (0.61) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL18979238 0.95 HMGCR (0.64) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL1740204 0.95 HMGCR (0.64) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL1741831 0.94 HMGCR (0.63) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL1739611 0.94 HMGCR (0.63) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2684323 0.94 HMGCR (0.63) HMGCRALDH1A1CYP3A4PDE6DNR1I2
Tert-Butylamine SCHEMBL1739621 0.92 HMGCR (0.60) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL17635504 0.87 HMGCR (0.67) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL3890153 0.86 HMGCR (0.46) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL6789988 0.85 HMGCR (0.59) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013188-B1 ROSUVASTATIN ZINC SALT EGIS GYÓGYSZERGYÁR NYILVÁNOSAN MÚKÖDÖ RÉSZVÉNYTÁRSASÁG (HU) 2016-09-07 EP claimed
US-20090306117-A1 ROSUVASTATIN ZINC SALT EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2009-12-10 US claimed
EP-2013188-A1 ROSUVASTATIN ZINC SALT Egis Gyógyszergyár Nyilvánosan Múködö Részvénytársaság (HU) 2009-01-14 EP claimed
WO-2007119085-A1 ROSUVASTATIN ZINC SALT EGIS GYÓGYSZERGYÁR NYILVÁNOSAN MUKODO RESZVENYTÁRSASÁG (HU) 2007-10-25 WO claimed
EP-2013188-B1 ROSUVASTATIN ZINC SALT EGIS GYÓGYSZERGYÁR NYILVÁNOSAN MÚKÖDÖ RÉSZVÉNYTÁRSASÁG (HU) 2016-09-07 EP disclosed
US-9174945-B2 Rosuvastatin zinc salt EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2015-11-03 US disclosed
US-20090306117-A1 ROSUVASTATIN ZINC SALT EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2009-12-10 US disclosed
EP-2013188-A1 ROSUVASTATIN ZINC SALT Egis Gyógyszergyár Nyilvánosan Múködö Részvénytársaság (HU) 2009-01-14 EP disclosed
WO-2007119085-A1 ROSUVASTATIN ZINC SALT EGIS GYÓGYSZERGYÁR NYILVÁNOSAN MUKODO RESZVENYTÁRSASÁG (HU) 2007-10-25 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-20090306117-A1 ROSUVASTATIN ZINC SALT SLC39A11, SLC39A3, SLC30A7 HMGCR 4/4885ALDH1A1 417/4885CYP3A4 283/4885

“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.