SCHEMBL5098482

SCHEMBL5098482

CC(C)c1nc(N)c(C=O)c(-c2ccc(F)cc2)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 16/20 0.44
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
ESR1 P03372 1/20 0.37
HMGCR P04035 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
PDE4A P27815 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL5095278 0.87 GCGR (0.60) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9872802 0.86 GCGR (0.45) GCGRFABP3FABP4FABP5DPP4
SCHEMBL14097269 0.84 GCGR (0.49) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL5102017 0.84 GCGR (0.49) GCGR
SCHEMBL14079242 0.82 GCGR (0.51) GCGR
SCHEMBL2651071 0.81 GCGR (0.56) GCGRFABP3FABP4FABP5DPP4
SCHEMBL9873412 0.78 GCGR (0.52) GCGRFABP3FABP4FABP5DPP4
SCHEMBL5098308 0.78 GCGR (0.50) GCGRFABP3FABP4FABP5DPP4
SCHEMBL27293870 0.77 GCGR (0.49) GCGRFABP3FABP4FABP5DPP4
SCHEMBL5107922 0.77 GCGR (0.38) GCGRFABP3FABP4FABP5DPP4

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 4 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
EP-1684754-A1 HMG-COA REDUCTASE INHIBITORS AND METHOD Bristol-Myers Squibb Company (US) 2006-08-02 EP 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
WO-2005051386-A1 HMG-COA REDUCTASE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-09 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-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 124/4885FABP3 234/4885FABP4 139/4885

“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.