SCHEMBL603928

SCHEMBL603928

NS(=O)(=O)c1cc(F)c(Br)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.67
CA1 P00915 16/20 0.67
CA9 Q16790 13/20 0.67
CA3 P07451 2/20 0.54
CA12 O43570 4/20 0.52
CA7 P43166 4/20 0.52
CA4 P22748 2/20 0.52
CA6 P23280 2/20 0.52
CA5A P35218 2/20 0.52
CA14 Q9ULX7 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
CA13 Q8N1Q1 1/20 0.43
APEX1 P27695 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL31487920 0.82 CA2 (0.68) CA2CA1CA9CA3CA12
SCHEMBL1497205 0.80 CA1 (0.59) CA2CA1CA9CA3CA12
SCHEMBL30291220 0.77 CA2 (0.64) CA2CA1CA9CA12CA7
SCHEMBL30291222 0.77 CA2 (0.64) CA2CA1CA9CA12CA7
SCHEMBL1512006 0.77 CA2 (0.64) CA2CA1CA9CA12CA7
SCHEMBL603929 0.76 CA2 (0.55) CA2CA1CA9CA3CA12
SCHEMBL1541882 0.76 CA1 (0.41) CA2CA1CA9CA3CA12
SCHEMBL18230947 0.76 PTGS2 (0.41) CA2CA1CA9CYP2C19PTGS1
SCHEMBL23203429 0.76 CYP1A2 (0.46) CA2CA1CA9CA3CA12
SCHEMBL601019 0.76 CA2 (0.55) CA2CA1CA9CA3CA12

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151253-B Phosphodiesterase inhibitors and uses 南京征祥医药有限公司 2025-04-15 CN disclosed
CN-118063359-B Binary asymmetric organic lithium salt, electrolyte and lithium battery 蓝固(湖州)新能源科技有限公司 2024-07-05 CN disclosed
CN-118063359-A Binary asymmetric organic lithium salt, electrolyte and lithium battery 蓝固(湖州)新能源科技有限公司 2024-05-24 CN disclosed
CN-116574099-A Phosphodiesterase inhibitors and uses 南京征祥医药有限公司 2023-08-11 CN disclosed
CN-115151253-A Phosphodiesterase inhibitors and uses thereof 南京征祥医药有限公司 2022-10-04 CN disclosed
US-8846739-B2 TGR5 agonists EXELIXIS PATENT COMPANY LLC (US) 2014-09-30 US disclosed
US-8846739-B2 TGR5 agonists EXELIXIS PATENT COMPANY LLC (US) 2014-09-30 US disclosed
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-20130303505-A1 TGR5 AGONISTS EXELIXIS PATENT COMPANY LLC 2013-11-14 US disclosed
US-20130303505-A1 TGR5 AGONISTS EXELIXIS PATENT COMPANY LLC 2013-11-14 US disclosed
EP-2509960-A1 TGR5 AGONISTS Exelixis, Inc. (US) 2012-10-17 EP 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
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
EP-2396304-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY Exelixis, Inc. (US) 2011-12-21 EP disclosed
WO-2011071565-A1 TGR5 AGONISTS EXELIXIS, INC. (US) 2011-06-16 WO disclosed
WO-2010093845-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS, INC. (US) 2010-08-19 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 (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 CA2 3033/4885CA1 4670/4885CA9 3413/4885
US-20130303505-A1 TGR5 AGONISTS GCGR, NPY5R, TBXA2R CA2 3353/4885CA1 4767/4885CA9 3804/4885

“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.