Sugi Predict

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SCHEMBL602189

SCHEMBL602189

CC(C)(C)OC(=O)c1cc(F)c(COS(C)(=O)=O)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.37
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ ACLY P53396 3/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ SCN9A Q15858 1/20 0.31
▸ NR3C2 P08235 1/20 0.31
▸ EPHX2 P34913 2/20 0.31
▸ MITF O75030 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL602329 0.91 CA12 (0.38) STAT3CA12CA1CA2CA9
SCHEMBL15383151 0.84 STAT3 (0.34) STAT3CA12CA1CA2CA9
SCHEMBL10228048 0.81 ESR1 (0.36) STAT3CA12CA1CA2CA9
SCHEMBL10227775 0.73 SLC7A5 (0.38) CA12CA1CA2CA9CA14
SCHEMBL602786 0.73 SLC7A5 (0.38) CA12CA1CA2CA9CA14
SCHEMBL9327872 0.73 STAT3 (0.41) STAT3CA12CA1CA2CA9
SCHEMBL3713112 0.72 LMNA (0.40) CA12CA1CA2CA9CA14
SCHEMBL18299439 0.72 CA12 (0.36) STAT3CA12CA1CA2CA9
SCHEMBL7971294 0.71 ESR1 (0.51) STAT3CA12CA1CA2CA9
SCHEMBL22167894 0.70 SLC7A5 (0.39) CA12CA1CA2CA9CA14

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846739-B2 TGR5 agonists EXELIXIS PATENT COMPANY LLC (US) 2014-09-30 — — US disclosed
US-8785488-B2 Triazole and imidazole derivatives for use as TGR5 agonists in the treatment of diabetes and obesity EXELIXIS PATENT COMPANY LLC (US) 2014-07-22 — — US disclosed
US-8785488-B2 Triazole and imidazole derivatives for use as TGR5 agonists in the treatment of diabetes and obesity EXELIXIS PATENT COMPANY LLC (US) 2014-07-22 — — US disclosed
US-20130303505-A1 TGR5 AGONISTS EXELIXIS PATENT COMPANY LLC 2013-11-14 — — US disclosed
US-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS PATENT COMPANY LLC (US) 2012-02-16 — — US disclosed
US-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS PATENT COMPANY LLC (US) 2012-02-16 — — 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 (2 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-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY GPR119, GLP1R, GCGR STAT3 1708/4885CA12 4836/4885CA1 4670/4885
US-20130303505-A1 TGR5 AGONISTS GCGR, NPY5R, TBXA2R STAT3 3135/4885CA12 4815/4885CA1 4767/4885

“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.