Celastrol

Celastrol

SCHEMBL18845540

CC1=C(O)C(=O)C=C2C1=CC=C1C2(C)CCC2(C)C3CC(C)(C(=O)O)CCC3(C)CCC12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 1.00
CCR6 P51684 1/20 1.00
PAX8 Q06710 1/20 1.00
TLR9 Q9NR96 1/20 1.00
NR4A1 P22736 7/20 0.84
PTPN1 P18031 1/20 0.83
CASP1 P29466 1/20 0.83
ABHD6 Q9BV23 1/20 0.83
KDM4E B2RXH2 1/20 0.83
TP53 P04637 1/20 0.83
CYP3A4 P08684 1/20 0.83
MAPT P10636 1/20 0.83
HPGD P15428 1/20 0.83
ALOX15 P16050 1/20 0.83
ALOX12 P18054 1/20 0.83
MAPK1 P28482 1/20 0.83
SMN1; SMN2 Q16637 1/20 0.83
TDP1 Q9NUW8 1/20 0.83
TERT O14746 7/20 0.82
HSP90AB1 P08238 5/20 0.75

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
Celastrol SCHEMBL17130559 1.00 HSP90AA1 (1.00) HSP90AA1CCR6PAX8TLR9NR4A1
Celastrol SCHEMBL14954 1.00 HSP90AA1 (1.00) HSP90AA1CCR6PAX8TLR9NR4A1
Celastrol SCHEMBL25510440 1.00 HSP90AA1 (1.00) HSP90AA1CCR6PAX8TLR9NR4A1
Celastrol SCHEMBL15813281 1.00 HSP90AA1 (1.00) HSP90AA1CCR6PAX8TLR9NR4A1
Celastrol SCHEMBL19745423 1.00 HSP90AA1 (1.00) HSP90AA1CCR6PAX8TLR9NR4A1
Celastrol SCHEMBL17430781 1.00 HSP90AA1 (1.00) HSP90AA1CCR6PAX8TLR9NR4A1
Celastrol SCHEMBL20547678 0.99 HSP90AA1 (0.98) HSP90AA1CCR6PAX8TLR9NR4A1
SCHEMBL12395103 0.93 HSP90AA1 (0.86) HSP90AA1CCR6PAX8TLR9NR4A1
SCHEMBL13287257 0.92 HSP90AA1 (0.86) HSP90AA1CCR6PAX8TLR9NR4A1
Celastrol SCHEMBL23777521 0.92 HSP90AA1 (0.84) HSP90AA1CCR6PAX8TLR9NR4A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210324031-A1 COMPOUNDS, COMPOSITIONS, METHODS, AND USES FOR TREATING LEPTIN RESISTANCE, OBESITY, DIABETES MELLITUS AND METABOLIC SYNDROME LINK THERAPEUTICS, LLC 2021-10-21 US claimed
WO-2023086467-A1 CELASTROL PROTEOLYSIS TARGETING CHIMERAS THE GENERAL HOSPITAL CORPORATION (US) 2023-05-19 WO disclosed
US-11446312-B2 Compounds that modulate von Willebrand factor levels and their use in the treatment of blood disorders SOCIETE DES PRODUITS NESTLE S.A. (CH) 2022-09-20 US disclosed
US-10688105-B2 Method of treating refractory rheumatoid arthritis associated with p53 mutation MACAU UNIVERSITY OF SCIENCE AND TECHNOLOGY (MO) 2020-06-23 US disclosed
US-10322097-B2 Treatment of subjects with multidrug-resistant cancer MACAU UNIVERSITY OF SCIENCE AND TECHNOLOGY (MO) 2019-06-18 US disclosed
US-20170128394-A1 TREATMENT OF SUBJECTS WITH MULTIDRUG-RESISTANT CANCER MACAU UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2017-05-11 US disclosed
US-20170128394-A1 TREATMENT OF SUBJECTS WITH MULTIDRUG-RESISTANT CANCER MACAU UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2017-05-11 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 (5 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-20170128394-A1 TREATMENT OF SUBJECTS WITH MULTIDRUG-RESISTANT CANCER TP53, ABCB1, ABCC1 HSP90AA1 546/4885CCR6 2686/4885PAX8 3565/4885
US-11446312-B2 Compounds that modulate von Willebrand factor levels and their use in the treatment of blood disorders F5, F2, F3 HSP90AA1 757/4885CCR6 2721/4885PAX8 3643/4885
US-10322097-B2 Treatment of subjects with multidrug-resistant cancer TP53, ABCB1, ABCC1 HSP90AA1 546/4885CCR6 2686/4885PAX8 3565/4885
US-20210324031-A1 COMPOUNDS, COMPOSITIONS, METHODS, AND USES FOR TREATING LEPTIN RESISTANCE, OBESITY, DIABETES MELLITUS AND METABOLIC SYNDROME LIPE, GPR119, FABP4 HSP90AA1 2110/4885CCR6 1615/4885PAX8 4249/4885
US-10688105-B2 Method of treating refractory rheumatoid arthritis associated with p53 mutation TP53, SQSTM1, TP53BP1 HSP90AA1 353/4885CCR6 3963/4885PAX8 1820/4885

“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.