SCHEMBL603151

SCHEMBL603151

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
SLC7A5 Q01650 1/20 0.35
STAT3 P40763 2/20 0.34
SERPINE1 P05121 2/20 0.33
TRPA1 O75762 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRA6 Q16445 1/20 0.33
ERN1 O75460 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL662974 0.82 CES2 (0.50) CA12CA1CA2CA9CA14
SCHEMBL23135856 0.81 CA12 (0.41) CA12CA1CA2CA9CA14
SCHEMBL14059749 0.80 KDM4E (0.52) CA12CA1CA2CA9CA14
SCHEMBL663524 0.80 SERPINE1 (0.43) CA12CA1CA2CA9CA14
SCHEMBL4810126 0.79 ERN1 (0.42) CA12CA1CA2CA9CA14
SCHEMBL23413724 0.79 CA12 (0.38) CA12CA1CA2CA9CA14
SCHEMBL34472159 0.79 ERN1 (0.36) CA12CA1CA2CA9CA14
SCHEMBL10318727 0.78 ERN1 (0.44) CA12CA1CA2CA9CA14
SCHEMBL21956939 0.77 LMNA (0.39) CA12CA1CA2CA9CA14
SCHEMBL10228045 0.77 TUBB1 (0.41) 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503468-B2 Heterocyclic compound, intermediate, preparation method therefor and application thereof WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2025-12-23 US disclosed
EP-4389755-A1 FLUORESCENT COMPOUND AND FLUORESCENCE-LABELED BIOSUBSTANCE OBTAINED USING SAME FUJIFILM Corporation (JP) 2024-06-26 EP disclosed
CN-113272301-B Heterocyclic compound, intermediate, preparation method and application thereof 武汉朗来科技发展有限公司 2024-04-26 CN disclosed
US-20240110918-A1 FLUORESCENT COMPOUND AND FLUORESCENTLY LABELED BIOLOGICAL SUBSTANCE USING THE SAME FUJIFILM CORPORATION (JP) 2024-04-04 US disclosed
US-20240034729-A9 HETEROCYCLIC COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2024-02-01 US disclosed
CN-117460790-A Fluorescent compound and fluorescent-labeled biological material using same 富士胶片株式会社 2024-01-26 CN disclosed
US-20230068538-A1 HETEROCYCLIC COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF WUHAN LL SCIENCE & TECHNOLOGY DEVELOPMENT CO LTD (CN) 2023-03-02 US disclosed
WO-2023022187-A1 FLUORESCENT COMPOUND AND FLUORESCENCE-LABELED BIOSUBSTANCE OBTAINED USING SAME 富士フイルム株式会社 2023-02-23 WO disclosed
CN-111377917-B Heterocyclic compound, intermediate, preparation method and application thereof 武汉朗来科技发展有限公司 2022-12-06 CN disclosed
EP-3889154-A1 HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-10-06 EP 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-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
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
US-7119073-B2 Peptides and their use as inhibitors of hepatitis C virus ns3 protease ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2006-10-10 US disclosed
US-20040142876-A1 Peptides and their use as inhibitors of hepatitis c virus ns3 protease ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2004-07-22 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 (7 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-20040142876-A1 Peptides and their use as inhibitors of hepatitis c virus ns3 protease CTRL, VIP, CTSC CA12 2690/4885CA1 3126/4885CA2 3949/4885
US-20240110918-A1 FLUORESCENT COMPOUND AND FLUORESCENTLY LABELED BIOLOGICAL SUBSTANCE USING THE SAME F11, NPFFR1, FGF23 CA12 289/4885CA1 485/4885CA2 476/4885
US-20230068538-A1 HETEROCYCLIC COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF P2RX3, P2RX7, P2RX4 CA12 2590/4885CA1 1419/4885CA2 823/4885
US-12503468-B2 Heterocyclic compound, intermediate, preparation method therefor and application thereof P2RX3, P2RX7, P2RX4 CA12 2590/4885CA1 1419/4885CA2 823/4885
US-20240034729-A9 HETEROCYCLIC COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF P2RX3, P2RX7, P2RX4 CA12 2590/4885CA1 1419/4885CA2 823/4885
US-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY GPR119, GLP1R, GCGR CA12 4836/4885CA1 4670/4885CA2 3033/4885
US-20130303505-A1 TGR5 AGONISTS GCGR, NPY5R, TBXA2R CA12 4815/4885CA1 4767/4885CA2 3353/4885

“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.