SCHEMBL4476340

SCHEMBL4476340

CON(C)C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.49
CTSS P25774 2/20 0.49
CA2 P00918 2/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
PREP P48147 1/20 0.43
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42
TRPA1 O75762 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CYP2D6 P10635 1/20 0.41
PSENEN Q9NZ42 1/20 0.39
ELANE P08246 1/20 0.36
KLK5 Q9Y337 1/20 0.36

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
SCHEMBL4476337 1.00 CTSK (0.49) CTSKCTSSCA2CA1CA7
SCHEMBL1655475 1.00 CTSK (0.49) CTSKCTSSCA2CA1CA7
SCHEMBL23990580 0.88 JAK3 (0.41) CTSKCTSSCA2CA1CA7
SCHEMBL1204596 0.85 CTSS (0.54) CTSKCTSSCA2CA1CA7
SCHEMBL20028616 0.85 CTSS (0.54) CTSKCTSSCA2CA1CA7
SCHEMBL12189209 0.85 CTSS (0.54) CTSKCTSSCA2CA1CA7
SCHEMBL1204594 0.85 CTSS (0.54) CTSKCTSSCA2CA1CA7
SCHEMBL14778518 0.85 CTSK (0.53) CTSKCTSSCA2CA1CA7
SCHEMBL3212854 0.85 CTSK (0.53) CTSKCTSSCA2CA1CA7
SCHEMBL3212857 0.85 CTSK (0.53) CTSKCTSSCA2CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240300936-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS AVELOS THERAPEUTICS INC. (KR) 2024-09-12 US disclosed
EP-4352049-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS Avelos Therapeutics Inc. (KR) 2024-04-17 EP disclosed
CN-117529476-A Preparation of substituted 1, 2-diamino heterocyclic derivatives and their use as medicaments 亚飞络思制药公司 2024-02-06 CN disclosed
WO-2022260441-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS AVELOS THERAPEUTICS INC. (KR) 2022-12-15 WO disclosed
US-11505551-B2 Methods for preparing substituted pyridinone-containing tricyclic compounds ARBUTUS BIOPHARMA CORPORATION (CA) 2022-11-22 US disclosed
US-20210032246-A1 METHODS FOR PREPARING SUBSTITUTED PYRIDINONE-CONTAINING TRICYCLIC COMPOUNDS ARBUTUS BIOPHARMA CORPORATION (CA) 2021-02-04 US disclosed
US-20210032246-A1 METHODS FOR PREPARING SUBSTITUTED PYRIDINONE-CONTAINING TRICYCLIC COMPOUNDS ARBUTUS BIOPHARMA CORPORATION (CA) 2021-02-04 US disclosed
US-8633236-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2014-01-21 US disclosed
US-8633236-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2014-01-21 US disclosed
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2013-02-28 US disclosed
EP-1539727-B1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CELLULAR PROLIFERATIVE DISEASES CYTOKINETICS INC (US) 2009-02-18 EP disclosed
US-7491746-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7491746-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-20090005580-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2009-01-01 US disclosed
US-20090005580-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2009-01-01 US disclosed
US-20060247287-A1 Heterocyclic Anti-Viral Compounds Comprising Metabolizable Moieties And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2006-11-02 US disclosed
US-20030153758-A1 1,3,4-Oxadiazole derivatives and process for producing the same ONO PHARMACEUTICAL CO., LTD. 2003-08-14 US disclosed
US-6534658-B1 Intermediates for producing pharmaceuticals ONO PHARMACEUTICAL CO., LTD. (JP) 2003-03-18 US disclosed
EP-1162199-A1 1,3,4-OXADIAZOLE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2001-12-12 EP disclosed
US-5773468-A Irreversible HIV protease inhibitor having an anti-aids activity and process for the preparation thereof LG CHEMICAL LIMITED (KR) 1998-06-30 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-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 CTSK 1326/4885CTSS 1434/4885CA2 2768/4885
US-11505551-B2 Methods for preparing substituted pyridinone-containing tricyclic compounds HMBS, TYMP, HAVCR2 CTSK 1116/4885CTSS 804/4885CA2 4869/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 CTSK 1326/4885CTSS 1434/4885CA2 2768/4885
US-20210032246-A1 METHODS FOR PREPARING SUBSTITUTED PYRIDINONE-CONTAINING TRICYCLIC COMPOUNDS HMBS, TYMP, HAVCR2 CTSK 1116/4885CTSS 804/4885CA2 4869/4885
US-20060247287-A1 Heterocyclic Anti-Viral Compounds Comprising Metabolizable Moieties And Their Uses HAVCR2, HCCS, AADAC CTSK 1050/4885CTSS 532/4885CA2 4160/4885
US-20240300936-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS MAST1, MAST3, MAST4 CTSK 580/4885CTSS 1147/4885CA2 2424/4885
US-20030153758-A1 1,3,4-Oxadiazole derivatives and process for producing the same OXA1L, CYP1B1, OXER1 CTSK 3506/4885CTSS 4452/4885CA2 2684/4885

“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.