SCHEMBL5095176

SCHEMBL5095176

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.54
GAA P10253 3/20 0.43
POLB P06746 1/20 0.43
SLC10A2 Q12908 1/20 0.42
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
CACNB4 O00305 2/20 0.40
CACNA1A O00555 2/20 0.40
CACNA1G O43497 2/20 0.40
CACNG3 O60359 2/20 0.40
CACNA1F O60840 2/20 0.40
CACNA1H O95180 2/20 0.40
ACHE P22303 2/20 0.40
CACNB3 P54284 2/20 0.40
CACNA2D1 P54289 2/20 0.40
CACNG7 P62955 2/20 0.40
CACNA1B Q00975 2/20 0.40
CACNA1D Q01668 2/20 0.40

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
SCHEMBL5095179 0.89 GCGR (0.57) GCGRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5102023 0.89 GCGR (0.56) GCGRGAAPOLBSLC10A2TP53
SCHEMBL3192181 0.83 GCGR (0.61) GCGRGAAPOLBSLC10A2TP53
SCHEMBL8178136 0.83 GCGR (0.64) GCGRGAAPOLBSLC10A2TP53
SCHEMBL9737768 0.83 GCGR (0.64) GCGRGAAPOLBSLC10A2TP53
SCHEMBL13482768 0.83 GCGR (0.64) GCGRGAAPOLBSLC10A2TP53
SCHEMBL5101638 0.82 GCGR (0.58) GCGRGAAPOLBSLC10A2TP53
SCHEMBL5095166 0.82 GCGR (0.55) GCGRGAAPOLBSLC10A2TP53
SCHEMBL2648212 0.81 GCGR (0.62) GCGRGAAPOLBSLC10A2HTT
SCHEMBL9152067 0.81 GCGR (0.61) GCGRGAAPOLBSLC10A2TP53

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 124/4885GAA 711/4885POLB 4352/4885

“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.