SCHEMBL5095166

SCHEMBL5095166

CCOC(=O)c1c(N(C)S(C)(=O)=O)nc(C(C)C)c(C(=O)OC)c1-c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.55
SLC10A2 Q12908 1/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
PTGS2 P35354 1/20 0.41
HMGCR P04035 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 1/20 0.40
PDE6D O43924 1/20 0.40
NR1I2 O75469 1/20 0.40
PDE4D Q08499 1/20 0.40
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CACNB4 O00305 2/20 0.39
CACNA1A O00555 2/20 0.39
CACNA1G O43497 2/20 0.39
CACNG3 O60359 2/20 0.39

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
SCHEMBL5101638 0.92 GCGR (0.58) GCGRSLC10A2GAAPOLBPTGS2
SCHEMBL5095186 0.88 GCGR (0.56) GCGRHMGCRHDAC1HDAC2HDAC6
SCHEMBL9737768 0.84 GCGR (0.64) GCGRSLC10A2GAAPOLBALDH1A1
SCHEMBL8178136 0.84 GCGR (0.64) GCGRSLC10A2GAAPOLBPTGS2
SCHEMBL13482768 0.84 GCGR (0.64) GCGRSLC10A2GAAPOLBALDH1A1
SCHEMBL5102023 0.83 GCGR (0.56) GCGRSLC10A2GAAPOLBPTGS2
SCHEMBL2648212 0.82 GCGR (0.62) GCGRSLC10A2GAAPOLBALDH1A1
SCHEMBL5095176 0.82 GCGR (0.54) GCGRSLC10A2GAAPOLBPTGS2
SCHEMBL3192181 0.82 GCGR (0.61) GCGRSLC10A2GAAPOLBALDH1A1
SCHEMBL9152067 0.82 GCGR (0.61) GCGRSLC10A2GAAPOLBALDH1A1

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-7420059-B2 HMG-CoA reductase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-20050171140-A1 Prevent cholesterol biosynthesis; moderating blood serum lipid ; antidiabetic agents; obesity; hypotensive agents; osteoporosis; Alzheimer's disease; cardiovascular disorders; hormone replacement therapy BRISTOL-MYERS SQUIBB COMPANY 2005-08-04 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-20050171140-A1 Prevent cholesterol biosynthesis; moderating blood serum lipid ; antidiabetic agents; obesity; hypotensive agents; osteoporosis; Alzheimer's disease; cardiovascular disorders; hormone replacement therapy HMGCR, LDLR, APOB GCGR 124/4885SLC10A2 2144/4885GAA 711/4885

“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.