SCHEMBL6511539

SCHEMBL6511539

COC(=O)C(=O)CC(=O)c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.59
GSK3B P49841 2/20 0.52
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL11222224 0.95 HAO1 (0.68) HAO1GSK3BHDAC1HDAC8HDAC3
SCHEMBL1694519 0.84 ALDH1A1 (0.56) HAO1GSK3BHDAC1HDAC8HDAC3
SCHEMBL3864104 0.83 NPC1 (0.58) GSK3BKMT2AMEN1MAPTRAB9A
SCHEMBL28079414 0.82 GSK3B (0.48) HAO1GSK3BHDAC1HDAC8HDAC3
SCHEMBL3365857 0.81 KMT2A (0.60) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL6025903 0.81 ERCC5 (0.65) GSK3BKMT2AMEN1MAPTRAB9A
SCHEMBL6341613 0.81 PLOD2 (0.53) KMT2AMEN1MAPTRAB9AMAPK1
SCHEMBL11827259 0.81 GSK3B (0.55) HAO1GSK3BHDAC1HDAC8HDAC3
SCHEMBL1109662 0.81 ERCC5 (0.64) HAO1GSK3BKMT2AMEN1MAPT
SCHEMBL2200555 0.80 L3MBTL1 (0.50) KMT2AMEN1MAPTRAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667629-B2 Isoxazole derivative, preparation method therefor, and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-06-06 US disclosed
US-11667629-B2 Isoxazole derivative, preparation method therefor, and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-06-06 US disclosed
CN-111263759-B Isoxazole derivative and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-03-28 CN disclosed
US-20230012463-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2023-01-12 US disclosed
EP-3730491-B1 ISOXAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2022-07-20 EP disclosed
US-11078170-B2 Cyclic sulfamide compounds and methods of using same ASSEMBLY BIOSCIENCES, INC. (US) 2021-08-03 US disclosed
US-11078170-B2 Cyclic sulfamide compounds and methods of using same ASSEMBLY BIOSCIENCES, INC. (US) 2021-08-03 US disclosed
EP-3589630-B1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2021-07-07 EP disclosed
EP-3589630-B1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2021-07-07 EP disclosed
US-20200339558-A1 ISOXAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BiOTECH BIGPHARMACEUTICAL CO., LTD. (CN) 2020-10-29 US disclosed
EP-1086097-B1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER (US) 2004-05-19 EP disclosed
US-6727238-B2 CYCLOOXYGENASE INHIBITORS PFIZER INC. 2004-04-27 US disclosed
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2003-12-04 US disclosed
US-6608095-B2 Sulfonylbenzene and sulfonamidobenzene compounds which inhibit COX-2; treatment of a medical condition in which prostaglandins are implicated as pathogens PFIZER INC. 2003-08-19 US disclosed
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2002-04-18 US disclosed
US-6294558-B1 ANTIINFLAMMATORY AGENTS AND PROSTAGLANTINS PFIZER INC. 2001-09-25 US disclosed
EP-1086097-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER INC. (US) 2001-03-28 EP disclosed
WO-1999064415-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 1999-12-16 WO disclosed
US-4495195-A ANTI-GOUT, ANTI-GOUTY ARTHRITIS AGENTS ELI LILLY AND COMPANY (US) 1985-01-22 US disclosed
EP-0112623-A2 3-Aryl-5-pyrazole-carboxylic-acid derivatives, their preparation and pharmaceutical compositions ELI LILLY AND COMPANY (US) 1984-07-04 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 (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-20200339558-A1 ISOXAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF CYP4A11, CYP4F11, SLC10A1 HAO1 1563/4885GSK3B 126/4885HDAC1 3185/4885
US-11667629-B2 Isoxazole derivative, preparation method therefor, and use thereof CYP4A11, CYP4F11, SLC10A1 HAO1 1563/4885GSK3B 126/4885HDAC1 3185/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 HAO1 1074/4885GSK3B 4592/4885HDAC1 1268/4885
US-20230012463-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME HCCS, HAVCR2, SLC10A1 HAO1 4054/4885GSK3B 1705/4885HDAC1 1447/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 HAO1 1052/4885GSK3B 4650/4885HDAC1 1268/4885
US-11078170-B2 Cyclic sulfamide compounds and methods of using same HCCS, HAVCR2, SLC10A1 HAO1 4054/4885GSK3B 1705/4885HDAC1 1447/4885

“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.