SCHEMBL5095186

SCHEMBL5095186

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.56
HMGCR P04035 4/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
PDE6D O43924 1/20 0.42
NR1I2 O75469 1/20 0.42
PDE4D Q08499 1/20 0.42
ABCC3 O15438 1/20 0.39
ABCC4 O15439 1/20 0.39
DHODH Q02127 1/20 0.36
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
PDE4A P27815 1/20 0.35
ADRA1A P35348 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL5094915 0.92 GCGR (0.59) GCGRHMGCRHDAC1HDAC2HDAC6
SCHEMBL9745151 0.89 GCGR (0.60) GCGRHMGCRDHODHLMNAESR1
SCHEMBL5095166 0.88 GCGR (0.55) GCGRHMGCRHDAC1HDAC2HDAC6
SCHEMBL9870958 0.84 GCGR (0.72) GCGRHMGCRDHODHLMNAESR1
SCHEMBL5101592 0.82 GCGR (0.57) GCGRHMGCRHDAC1HDAC2HDAC6
SCHEMBL6565362 0.82 GCGR (0.79) GCGRDHODHLMNANPC1CASP3
SCHEMBL5101638 0.80 GCGR (0.58) GCGRALDH1A1LMNANPC1RAB9A
SCHEMBL5095179 0.80 GCGR (0.57) GCGRHMGCRHDAC1HDAC2HDAC6
SCHEMBL8949663 0.79 GCGR (0.61) GCGRHMGCRALDH1A1DHODHLMNA
SCHEMBL1752130 0.79 HMGCR (0.56) GCGRHMGCRHDAC1HDAC2HDAC6

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 124/4885HMGCR 1/4885HDAC1 733/4885

“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.