SCHEMBL2390690

SCHEMBL2390690

COC(=O)CC[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 4/20 0.42
CA12 O43570 3/20 0.42
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
TSHR P16473 3/20 0.36
SLC1A1 P43005 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
DGAT1 O75907 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL15418769 1.00 CA14 (0.42) CA14CA12CA2CA1TSHR
SCHEMBL27041570 1.00 CA14 (0.42) CA14CA12CA2CA1TSHR
SCHEMBL21685473 0.97 CA12 (0.41) CA14CA12CA2CA1TSHR
SCHEMBL21685475 0.97 CA12 (0.41) CA14CA12CA2CA1TSHR
SCHEMBL16083948 0.94 CA14 (0.42) CA14CA12CA2CA1TSHR
SCHEMBL26130398 0.94 CA14 (0.42) CA14CA12CA2CA1TSHR
SCHEMBL26130406 0.94 CA14 (0.42) CA14CA12CA2CA1TSHR
SCHEMBL25637462 0.91 CA14 (0.41) CA14CA12CA2CA1TSHR
SCHEMBL1197166 0.88 SLC1A1 (0.43) CA14CA12CA2CA1TSHR
SCHEMBL14125029 0.88 CA14 (0.42) CA14CA12CA2CA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558513-A1 MACROCYCLIC PEPTIDES TARGETING KRAS Merck Sharp & Dohme LLC (US) 2025-05-28 EP disclosed
CN-118806759-A Systemic formulations of pyridone derivatives for TG2 related diseases 福尔克博士药物有限责任公司 2024-10-22 CN disclosed
WO-2024200819-A1 PROTEASE INHIBITORS FOR CORONAVIRAL INFECTIONS PROTINHI B.V. (NL) 2024-10-03 WO disclosed
CN-115867260-B Systemic formulations of pyridone derivatives for celiac disease 福尔克博士药物有限责任公司 2024-10-01 CN disclosed
EP-4408454-A1 PROTEASE INHIBITORS Protinhi B.V. (NL) 2024-08-07 EP disclosed
CN-115715187-B Systemic formulations of pyridone derivatives for TG2 related diseases 福尔克博士药物有限责任公司 2024-07-19 CN disclosed
WO-2024020159-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2024-01-25 WO disclosed
EP-3965741-B1 SYSTEMIC FORMULATION OF A PYRIDINONE DERIVATE FOR COELIAC DISEASE DR FALK PHARMA GMBH (DE) 2023-06-14 EP disclosed
EP-3965742-B1 SYSTEMIC FORMULATION OF A PYRIDINONE DERIVATE FOR TG2-RELATED DISEASES DR FALK PHARMA GMBH (DE) 2023-06-14 EP disclosed
EP-3965742-B1 SYSTEMIC FORMULATION OF A PYRIDINONE DERIVATE FOR TG2-RELATED DISEASES DR FALK PHARMA GMBH (DE) 2023-06-14 EP disclosed
WO-2014012858-A1 PYRIDINONE DERIVATIVES AS TISSUE TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2014-01-23 WO disclosed
EP-2687511-A1 Pyridinone derivatives as tissue transglutaminase inhibitors Zedira GmbH (DE) 2014-01-22 EP disclosed
US-8471063-B2 Michael systems as transglutaminase inhibitors ZEDIRA GMBH (DE) 2013-06-25 US disclosed
US-8471063-B2 Michael systems as transglutaminase inhibitors ZEDIRA GMBH (DE) 2013-06-25 US disclosed
US-8471063-B2 Michael systems as transglutaminase inhibitors ZEDIRA GMBH (DE) 2013-06-25 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20110229568-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2011-09-22 US disclosed
US-20110229568-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2011-09-22 US disclosed
US-20110229568-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2011-09-22 US disclosed
WO-2008055488-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2008-05-15 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 (1 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-20110229568-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS TGM2, TGM3, TGM1 CA14 2294/4885CA12 2136/4885CA2 2128/4885

“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.