SCHEMBL5137173

SCHEMBL5137173

CC(C)c1nc(N(C)S(C)(=O)=O)cc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.72
ALDH1A1 P00352 1/20 0.72
CYP3A4 P08684 1/20 0.72
PDE6D O43924 1/20 0.72
NR1I2 O75469 1/20 0.72
PDE4D Q08499 1/20 0.72
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
ESR1 P03372 1/20 0.57
CHRM1 P11229 1/20 0.57
TBXA2R P21731 1/20 0.57
PDE4A P27815 1/20 0.57
ADRA1A P35348 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
SCHEMBL7858415 1.00 HMGCR (0.72) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL27636878 1.00 HMGCR (0.72) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL9871185 0.85 HMGCR (0.64) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL9871697 0.85 HMGCR (0.63) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL9871701 0.85 HMGCR (0.63) HMGCRALDH1A1CYP3A4PDE6DNR1I2
Rosuvastatin SCHEMBL2520 0.83 HMGCR (1.00) HMGCRALDH1A1CYP3A4PDE6DNR1I2
Rosuvastatin SCHEMBL240432 0.83 HMGCR (1.00) HMGCRALDH1A1CYP3A4PDE6DNR1I2
Rosuvastatin SCHEMBL16995485 0.83 HMGCR (1.00) HMGCRALDH1A1CYP3A4PDE6DNR1I2
Rosuvastatin SCHEMBL154400 0.83 HMGCR (1.00) HMGCRALDH1A1CYP3A4PDE6DNR1I2
Rosuvastatin SCHEMBL8268193 0.83 HMGCR (1.00) 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
US-20080070938-A1 Medicinal composition for mitigating blood lipid or lowering blood homocysteine SANKYO COMPANY, LIMITED (JP) 2008-03-20 US disclosed
US-20050187204-A1 Medicinal composition for lowering blood lipid level SANKYO COMPANY, LIMITED (JP) 2005-08-25 US disclosed
US-20050182106-A1 Medicinal composition for mitigating blood lipid or lowering blood homocysteine SANKYO COMPANY, LIMITED (JP) 2005-08-18 US disclosed
US-20050182036-A1 Medicinal composition containing an HMG-CoA reductase inhibitor SANKYO COMPANY, LIMITED (JP) 2005-08-18 US disclosed
US-20040121008-A1 Process for producing sustained release preparation TAKEDA PHARMACEUTICAL COMPANY (JP) 2004-06-24 US disclosed
EP-1369130-A1 PROCESS FOR PRODUCING SUSTAINED RELEASE PREPARATION Takeda Chemical Industries, Ltd. (JP) 2003-12-10 EP disclosed
US-20030068374-A1 Sustained release preparations of physiologically active compound hardly soluble in water and production process and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-04-10 US disclosed
EP-1258254-A1 SUSTAINED RELEASE PREPARATIONS OF PHYSIOLOGICALLY ACTIVE COMPOUND HARDLY SOLUBLE IN WATER AND PRODUCTION PROCESS AND USE OF THE SAME Takeda Chemical Industries, Ltd. (JP) 2002-11-20 EP disclosed
JP-2001206877-A PHARMACEUTICAL COMPOSITION ASTRAZENECA AB 2001-07-31 JP 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 (6 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-20050187204-A1 Medicinal composition for lowering blood lipid level HMGCR, APOB, CETP HMGCR 1/4885ALDH1A1 1280/4885CYP3A4 466/4885
US-20030068374-A1 Sustained release preparations of physiologically active compound hardly soluble in water and production process and use of the same CHERP, VMA21, ATP2A1 HMGCR 4368/4885ALDH1A1 3851/4885CYP3A4 1535/4885
US-20080070938-A1 Medicinal composition for mitigating blood lipid or lowering blood homocysteine HMGCR, PLPBP, BHMT HMGCR 1/4885ALDH1A1 1089/4885CYP3A4 238/4885
US-20050182036-A1 Medicinal composition containing an HMG-CoA reductase inhibitor HMGCR, NR1H3, NR1H2 HMGCR 1/4885ALDH1A1 1122/4885CYP3A4 644/4885
US-20040121008-A1 Process for producing sustained release preparation VMA21, PUF60, SAMM50 HMGCR 2788/4885ALDH1A1 3079/4885CYP3A4 258/4885
US-20050182106-A1 Medicinal composition for mitigating blood lipid or lowering blood homocysteine HMGCR, BHMT, APOB HMGCR 1/4885ALDH1A1 773/4885CYP3A4 438/4885

“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.