Sugi Predict

Sugi Predict / Compounds / SCHEMBL3204645

SCHEMBL3204645

SCHEMBL3204645

CC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.61
▸ CA12 O43570 3/20 0.61
▸ CA9 Q16790 3/20 0.61
▸ CA2 P00918 1/20 0.50
▸ KDM4E B2RXH2 4/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ HPGD P15428 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ SIRT5 Q9NXA8 1/20 0.49
▸ CASP3 P42574 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.47
▸ HDAC4 P56524 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ MEN1 O00255 1/20 0.45

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
SCHEMBL29550379 1.00 CA1 (0.61) CA1CA12CA9CA2KDM4E
SCHEMBL12841581 0.92 CA9 (0.50) CA1CA12CA9CA2KDM4E
SCHEMBL16383357 0.91 CA1 (0.63) CA1CA12CA9CA2KDM4E
SCHEMBL30453914 0.91 CA1 (0.58) CA1CA12CA9CA2KDM4E
SCHEMBL29396685 0.91 CA1 (0.58) CA1CA12CA9CA2KDM4E
SCHEMBL3504063 0.89 MAP2K1 (0.55) CA1CA12CA9CA2KDM4E
SCHEMBL3504066 0.89 MAP2K1 (0.55) CA1CA12CA9CA2KDM4E
SCHEMBL14725053 0.89 CA12 (0.64) CA1CA12CA9KDM4EALDH1A1
SCHEMBL29758957 0.89 CA12 (0.64) CA1CA12CA9KDM4EALDH1A1
SCHEMBL29947213 0.89 CA12 (0.64) CA1CA12CA9KDM4EALDH1A1

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-119823019-A Indole compound with effect of treating idiopathic pulmonary fibrosis as well as preparation method and application thereof 沈阳药科大学 2025-04-15 — — CN disclosed
CN-119306700-A DNMT1-HDAC double-target inhibitor and preparation method and application thereof 山东大学 2025-01-14 — — CN disclosed
CN-119306708-A FLT3-HDAC double-target inhibitor and preparation method and application thereof 山东大学 2025-01-14 — — CN disclosed
CN-116284002-B Compound with antifungal activity and application thereof 中国人民解放军海军军医大学 2024-11-15 — — CN disclosed
CN-113735830-B Hydroxamic acid derivative and application thereof 成都自豪药业有限公司 2024-08-20 — — CN disclosed
CN-118439999-A HDAC6 inhibitor and preparation method and application thereof 山东大学 2024-08-06 — — CN disclosed
CN-117924217-A 5-HTT/HDAC dual inhibitor and preparation method and application thereof 杭州师范大学 2024-04-26 — — CN disclosed
WO-2024068517-A1 3-(HETERO)ARYL-5-CHLORODIFLUOROMETHYL-1,2,4-OXADIAZOLE AS FUNGICIDE BAYER AKTIENGESELLSCHAFT (DE) 2024-04-04 — — WO disclosed
WO-2024068519-A1 3-(HETERO)ARYL-5-CHLORODIFLUOROMETHYL-1,2,4-OXADIAZOLE AS FUNGICIDE BAYER AKTIENGESELLSCHAFT (DE) 2024-04-04 — — WO disclosed
CN-115286583-B Diphenylamino pyrimidine-containing compound, preparation and application thereof as HDACs enzyme inhibitor 山东大学 2024-01-30 — — CN disclosed
CN-109641888-B Aryl-2, 2' -series bis-thiazole compounds and preparation method and application thereof 中国科学院上海药物研究所 2022-07-22 — — CN disclosed
CN-114621194-A 4-methylene-N-hydroxybenzamide compound and application thereof 沈阳药科大学 2022-06-14 — — CN disclosed
US-10421778-B2 Isoform-selective lysine deacetylase inhibitors WASHINGTON UNIVERSITY (US) 2019-09-24 — — US disclosed
WO-2016179398-A1 ISOFORM-SELECTIVE LYSINE DEACETYLASE INHIBITORS WASHINGTON UNIVERSITY (US) 2016-11-10 — — WO disclosed
US-20110060021-A1 HISTONE DEACETYLASE INHIBITORS AND USES THEREOF THE UWM RESEARCH FOUNDATION, INC. 2011-03-10 — — US disclosed
US-7683185-B2 Histone deacetylase inhibitors QUEEN MARY & WESTFIELD COLLEGE (GB) 2010-03-23 — — US disclosed
US-20060235231-A1 6-(4-Dimethylamino-phenylsulfanyl)-hexa-2,4-dienoic acid methyl ester; stimulating hematopoietic cells ex vivo UCL BIOMEDICA PLC (GB) 2006-10-19 — — US disclosed
EP-1565432-A1 HISTONE DEACETYLASE INHIBITORS QUEEN MARY & WESTFIELD COLLEGE (GB) 2005-08-24 — — EP disclosed
WO-2004046094-A9 HISTONE DEACETYLASE INHIBITORS QUEEN MARY & WESTFIELD COLLEGE (GB) 2005-06-23 — — WO disclosed
WO-2004046094-A1 HISTONE DEACETYLASE INHIBITORS QUEEN MARY & WESTFIELD COLLEGE (GB) 2004-06-03 — — 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 (3 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-10421778-B2 Isoform-selective lysine deacetylase inhibitors DOT1L, KDM1A, HDAC1 CA1 4314/4885CA12 4729/4885CA9 4405/4885
US-20110060021-A1 HISTONE DEACETYLASE INHIBITORS AND USES THEREOF HDAC1, HDAC11, HDAC10 CA1 355/4885CA12 835/4885CA9 1122/4885
US-20060235231-A1 6-(4-Dimethylamino-phenylsulfanyl)-hexa-2,4-dienoic acid methyl ester; stimulating hematopoietic cells ex vivo HDAC1, HDAC7, HDAC5 CA1 2318/4885CA12 3636/4885CA9 3891/4885

“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.