SCHEMBL602786

SCHEMBL602786

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.38
SERPINE1 P05121 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
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
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
POLB P06746 2/20 0.34
TRPA1 O75762 1/20 0.33
DPP4 P27487 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRA6 Q16445 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
SCHEMBL10227775 0.86 SLC7A5 (0.38) SLC7A5SERPINE1CA12CA1CA2
SCHEMBL662974 0.82 CES2 (0.50) SLC7A5SERPINE1CA12CA1CA2
SCHEMBL31588324 0.81 SERPINE1 (0.40) SLC7A5SERPINE1CA12CA1CA2
SCHEMBL17926622 0.80 KDM4E (0.52) CA12CA1CA2CA9CA14
SCHEMBL663524 0.80 SERPINE1 (0.43) SLC7A5SERPINE1CA12CA1CA2
SCHEMBL10228048 0.80 ESR1 (0.36) SLC7A5SERPINE1CA12CA1CA2
SCHEMBL22167894 0.80 SLC7A5 (0.39) SLC7A5SERPINE1CA12CA1CA2
SCHEMBL23413724 0.79 CA12 (0.38) SLC7A5SERPINE1CA12CA1CA2
SCHEMBL602329 0.79 CA12 (0.38) SLC7A5SERPINE1CA12CA1CA2
SCHEMBL15383151 0.77 STAT3 (0.34) SLC7A5CA12CA1CA2CA9

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 26 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
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-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
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
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
CN-113272301-A Heterocyclic compound, intermediate, preparation method and application thereof 武汉朗来科技发展有限公司 2021-08-17 CN disclosed
CN-111377917-A Heterocyclic compound, intermediate, preparation method and application thereof 武汉朗来科技发展有限公司 2020-07-07 CN disclosed
WO-2020135771-A1 HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2020-07-02 WO disclosed
US-10077241-B2 Tetrahydro-benzoimidazolyl modulators of TGR5 JANSEN PHARMACEUTICA NV (BE) 2018-09-18 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
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
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 (6 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-10077241-B2 Tetrahydro-benzoimidazolyl modulators of TGR5 GLRA1, GRM5, TRHR SLC7A5 1785/4885SERPINE1 3269/4885CA12 4753/4885
US-20230068538-A1 HETEROCYCLIC COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF P2RX3, P2RX7, P2RX4 SLC7A5 879/4885SERPINE1 4787/4885CA12 2590/4885
US-12503468-B2 Heterocyclic compound, intermediate, preparation method therefor and application thereof P2RX3, P2RX7, P2RX4 SLC7A5 879/4885SERPINE1 4787/4885CA12 2590/4885
US-20240034729-A9 HETEROCYCLIC COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF P2RX3, P2RX7, P2RX4 SLC7A5 879/4885SERPINE1 4787/4885CA12 2590/4885
US-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY GPR119, GLP1R, GCGR SLC7A5 1274/4885SERPINE1 1389/4885CA12 4836/4885
US-20130303505-A1 TGR5 AGONISTS GCGR, NPY5R, TBXA2R SLC7A5 1478/4885SERPINE1 2077/4885CA12 4815/4885

“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.