Sugi Predict

Sugi Predict / Compounds / SCHEMBL1655475

SCHEMBL1655475

SCHEMBL1655475

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
SCHEMBL4476340 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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20230167068-A1 BENZOPYRAZOLE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-06-01 — — US disclosed
WO-2023274040-A1 CRYSTAL FORM OF TRIAZOLOPYRIDINE-SUBSTITUTED INDAZOLE COMPOUND AND PREPARATION METHOD THEREFOR 南京明德新药研发有限公司 2023-01-05 — — WO disclosed
CN-109476639-B Pyrrolidine derivatives 橘生药品工业股份有限公司 2021-02-26 — — CN disclosed
EP-3197878-B1 1-ALKYL-6-OXO-1,6-DIHYDROPYRIDIN-3-YL COMPOUNDS AND USE AS SGRM MODULATORS ASTRAZENECA AB (SE) 2019-07-24 — — EP disclosed
US-10196374-B2 1-alkyl-6-oxo-1,6-dihydropyridin-3-yl compounds and use as SGRM modulators ASTRAZENECA AB (SE) 2019-02-05 — — US disclosed
US-10196374-B2 1-alkyl-6-oxo-1,6-dihydropyridin-3-yl compounds and use as SGRM modulators ASTRAZENECA AB (SE) 2019-02-05 — — US disclosed
US-20170298041-A1 1-ALKYL-6-OXO-1,6-DIHYDROPYRIDIN-3-YL COMPOUNDS AND USE AS SGRM MODULATORS ASTRAZENECA AB (SE) 2017-10-19 — — US disclosed
US-20170298041-A1 1-ALKYL-6-OXO-1,6-DIHYDROPYRIDIN-3-YL COMPOUNDS AND USE AS SGRM MODULATORS ASTRAZENECA AB (SE) 2017-10-19 — — US disclosed
US-20170298041-A1 1-ALKYL-6-OXO-1,6-DIHYDROPYRIDIN-3-YL COMPOUNDS AND USE AS SGRM MODULATORS ASTRAZENECA AB (SE) 2017-10-19 — — US disclosed
US-6716878-B1 BACTERICIDE, ANTIPROTOZOAL; VANCOMYCIN RESISTANT ENTEROCOCCI AND BETA-LACTAM ANTIBIOTIC-RESISTANT BACTERIA, METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS; HYDROXAMIC ACID AND N-FORMYL SUBTITUTED ALKYLAMIDES VERNALIS (OXFORD) LIMITED (GB) 2004-04-06 — — 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-1169031-A1 ANTIMICROBIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-01-09 — — EP 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
WO-2000061134-A1 ANTIMICROBIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-10-19 — — WO disclosed
EP-0656348-B1 Aceric acid derivatives as medicaments HOFFMANN LA ROCHE (CH) 2000-05-03 — — EP disclosed
US-5973188-A Acetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1999-10-26 — — US disclosed
US-5726185-A BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELET AGGREGATION AND CELL TO CELL ADHESION HOFFMANN-LA ROCHE INC. (US) 1998-03-10 — — US disclosed
EP-0656348-A2 Aceric acid derivatives as medicaments F. HOFFMANN-LA ROCHE AG (CH) 1995-06-07 — — EP 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 (4 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-20230167068-A1 BENZOPYRAZOLE COMPOUND ABCB1, CYP3A43, CYP3A5 CTSK 955/4885CTSS 2410/4885CA2 3350/4885
US-20170298041-A1 1-ALKYL-6-OXO-1,6-DIHYDROPYRIDIN-3-YL COMPOUNDS AND USE AS SGRM MODULATORS ADRM1, GRM1, GRM6 CTSK 2072/4885CTSS 1844/4885CA2 3743/4885
US-10196374-B2 1-alkyl-6-oxo-1,6-dihydropyridin-3-yl compounds and use as SGRM modulators ADRM1, GRM1, GRM6 CTSK 2072/4885CTSS 1844/4885CA2 3743/4885
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.