SCHEMBL603502

SCHEMBL603502

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
SLC6A3 Q01959 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRA5 P31644 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRA6 Q16445 1/20 0.39
SLC7A5 Q01650 1/20 0.39
HTR7 P34969 1/20 0.37
HCAR1 Q9BXC0 1/20 0.36
ELANE P08246 1/20 0.35

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
SCHEMBL20522076 0.87 NOTUM (0.45) CES2CES1SLC6A3CA12CA1
SCHEMBL7058435 0.84 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL15876054 0.83
SCHEMBL15875999 0.83 SLC7A5 (0.44) CES2CES1SLC6A3CA12CA1
SCHEMBL662974 0.82 CES2 (0.50) CES2CES1CA12CA1CA2
SCHEMBL4224819 0.81 ESR1 (0.55) CES2CES1SLC7A5MEN1LMNA
SCHEMBL30437641 0.81 ESR1 (0.55) CES2CES1SLC7A5MEN1LMNA
SCHEMBL24526871 0.81 SLC7A5 (0.36) CES2CES1SLC6A3CA12CA1
SCHEMBL663524 0.80 SERPINE1 (0.43) CA12CA1CA2CA9CA14
SCHEMBL30437614 0.80 HCAR2 (0.55) 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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230101612-A1 PREPARATION OF A P2X3 ANTAGONIST GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.3) LIMITED (GB) 2023-03-30 US claimed
EP-4103572-A1 PREPARATION OF A P2X3 ANTAGONIST Bellus Health Cough Inc. (CA) 2022-12-21 EP claimed
CN-115427419-A Preparation of P2X3 antagonists 贝卢斯医疗咳嗽病公司 2022-12-02 CN claimed
WO-2021161109-A1 PREPARATION OF A P2X3 ANTAGONIST BELLUS HEALTH COUGH INC. (CA) 2021-08-19 WO claimed
EP-4683713-A1 DEUTERATED P2X3 MODULATORS GlaxoSmithKline Intellectual Property (No.3) Limited (GB) 2026-01-28 EP disclosed
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
US-12503470-B2 Preparation of a P2X3 antagonist GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.3) LIMITED (GB) 2025-12-23 US disclosed
WO-2024194352-A1 DEUTERATED P2X3 MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.3) LIMITED (GB) 2024-09-26 WO 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-20230101612-A1 PREPARATION OF A P2X3 ANTAGONIST GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.3) LIMITED (GB) 2023-03-30 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
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
EP-1392721-A1 PEPTIDES AND THEIR USE AS INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2004-03-03 EP disclosed
WO-2002079234-A1 PEPTIDES AND THEIR USE AS INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2002-10-10 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 (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 CES2 702/4885CES1 44/4885SLC6A3 3772/4885
US-20230101612-A1 PREPARATION OF A P2X3 ANTAGONIST P2RX3, P2RX4, P2RX5 CES2 3268/4885CES1 3629/4885SLC6A3 642/4885
US-20230068538-A1 HETEROCYCLIC COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF P2RX3, P2RX7, P2RX4 CES2 3840/4885CES1 2314/4885SLC6A3 151/4885
US-12503468-B2 Heterocyclic compound, intermediate, preparation method therefor and application thereof P2RX3, P2RX7, P2RX4 CES2 3840/4885CES1 2314/4885SLC6A3 151/4885
US-12503470-B2 Preparation of a P2X3 antagonist P2RX3, P2RX4, P2RX7 CES2 3372/4885CES1 3417/4885SLC6A3 630/4885
US-20240034729-A9 HETEROCYCLIC COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF P2RX3, P2RX7, P2RX4 CES2 3840/4885CES1 2314/4885SLC6A3 151/4885
US-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY GPR119, GLP1R, GCGR CES2 1346/4885CES1 216/4885SLC6A3 1486/4885

“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.