Sugi Predict

Sugi Predict / Compounds / SCHEMBL980137

SCHEMBL980137

SCHEMBL980137

CCOC(=O)c1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.60
▸ HDAC6 Q9UBN7 4/20 0.53
▸ ESR2 Q92731 1/20 0.49
▸ NR1H2 P55055 1/20 0.48
▸ KDM4E B2RXH2 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAPT P10636 5/20 0.42
▸ NPSR1 Q6W5P4 4/20 0.41
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40

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
SCHEMBL1174301 0.91 ADORA1 (0.57) ADORA1HDAC6ESR2NR1H2KDM4E
SCHEMBL27141410 0.89 HDAC6 (0.58) ADORA1HDAC6ESR2NR1H2KDM4E
SCHEMBL27081538 0.87 HDAC6 (0.59) ADORA1HDAC6ESR2NR1H2KDM4E
SCHEMBL976244 0.85 ADORA1 (0.55) ADORA1HDAC6ESR2NR1H2KDM4E
SCHEMBL30782328 0.85 HDAC6 (0.54) ADORA1HDAC6ESR2KDM4EALDH1A1
SCHEMBL13985779 0.83 ESR2 (0.55) ADORA1HDAC6ESR2NR1H2KDM4E
SCHEMBL11176901 0.83 KDM4E (0.48) ADORA1HDAC6ESR2KDM4EALDH1A1
SCHEMBL976216 0.82 HDAC6 (0.55) ADORA1HDAC6KDM4EALDH1A1HPGD
SCHEMBL29978014 0.81 NR1H2 (0.50) ADORA1HDAC6ESR2NR1H2KDM4E
SCHEMBL27152407 0.81 ESR2 (0.51) ADORA1HDAC6ESR2NR1H2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120091998-A Substituted bicyclic rings as HSET inhibitors 默克专利股份公司 2025-06-03 — — CN disclosed
WO-2024042007-A1 SUBSTITUTED BICYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-02-29 — — WO disclosed
US-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2023-02-07 — — US disclosed
US-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2023-02-07 — — US disclosed
US-20220332705-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2022-10-20 — — US disclosed
CN-109096274-B Biaryl compounds useful in the treatment of human oncological, neurological and immunological diseases 比奥根MA公司 2022-07-01 — — CN disclosed
US-10759783-B2 Biaryl inhibitors of Bruton'S tyrosine kinase BIOGEN MA INC. (US) 2020-09-01 — — US disclosed
US-10759783-B2 Biaryl inhibitors of Bruton'S tyrosine kinase BIOGEN MA INC. (US) 2020-09-01 — — US disclosed
US-20190218204-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2019-07-18 — — US disclosed
US-20190218204-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2019-07-18 — — US disclosed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 — — US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 — — EP disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — US disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 — — US disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 — — US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 — — WO disclosed
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 — — EP disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 — — WO disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 — — 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-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase ABL1, BTK, LYN ADORA1 4562/4885HDAC6 1752/4885ESR2 3301/4885
US-10759783-B2 Biaryl inhibitors of Bruton'S tyrosine kinase ABL1, BTK, LYN ADORA1 4562/4885HDAC6 1752/4885ESR2 3301/4885
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 ADORA1 4630/4885HDAC6 11/4885ESR2 2520/4885
US-20220332705-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN ADORA1 4562/4885HDAC6 1752/4885ESR2 3301/4885
US-20190218204-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN ADORA1 4562/4885HDAC6 1752/4885ESR2 3301/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 ADORA1 2928/4885HDAC6 1/4885ESR2 3352/4885

“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.