Sugi Predict

Sugi Predict / Compounds / SCHEMBL12395103

SCHEMBL12395103

SCHEMBL12395103

CC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.86
▸ CCR6 P51684 1/20 0.86
▸ PAX8 Q06710 1/20 0.86
▸ TLR9 Q9NR96 1/20 0.86
▸ 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 SCHEMBL19745423 0.93 HSP90AA1 (1.00) HSP90AA1CCR6PAX8TLR9NR4A1
Celastrol SCHEMBL18845540 0.93 HSP90AA1 (1.00) HSP90AA1CCR6PAX8TLR9NR4A1
Celastrol SCHEMBL25510440 0.93 HSP90AA1 (1.00) HSP90AA1CCR6PAX8TLR9NR4A1
Celastrol SCHEMBL17130559 0.93 HSP90AA1 (1.00) HSP90AA1CCR6PAX8TLR9NR4A1
Celastrol SCHEMBL15813281 0.93 HSP90AA1 (1.00) HSP90AA1CCR6PAX8TLR9NR4A1
Celastrol SCHEMBL14954 0.93 HSP90AA1 (1.00) HSP90AA1CCR6PAX8TLR9NR4A1
Celastrol SCHEMBL17430781 0.93 HSP90AA1 (1.00) HSP90AA1CCR6PAX8TLR9NR4A1
SCHEMBL21527671 0.92 NR4A1 (1.00) HSP90AA1CCR6PAX8TLR9NR4A1
Celastrol SCHEMBL20547678 0.92 HSP90AA1 (0.98) HSP90AA1CCR6PAX8TLR9NR4A1
SCHEMBL19918 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753436-B2 Analogs of celastrol ERX PHARMACEUTICALS CORPORATION (US) 2023-09-12 — — US disclosed
US-20180194709-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION 2018-07-12 — — US disclosed
US-20180185314-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION 2018-07-05 — — US disclosed
US-9925161-B2 Compounds for the treatment of obesity and methods of use thereof THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2018-03-27 — — US disclosed
US-20170304245-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION 2017-10-26 — — US disclosed
US-20170266153-A1 COMPOSITIONS PURPOSEFULLY SELECTED COMPRISING PURIFIED CANNABINOIDS AND/OR PURIFIED TERPENES WILMINGTON TRUST, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2017-09-21 — — US disclosed
US-9533002-B2 Methods of treating a metabolic syndrome by modulating heat shock protein (HSP) 90-β BERG LLC (US) 2017-01-03 — — US disclosed
US-20150274634-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION 2015-10-01 — — US disclosed
US-20150250753-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF THE GENERAL HOSPITAL CORPORATION 2015-09-10 — — US disclosed
US-20140154266-A1 METHODS OF TREATING A METABOLIC SYNDROME BY MODULATING HEAT SHOCK PROTEIN (HSP) 90-BETA BERG PHARMA LLC (US) 2014-06-05 — — US disclosed
US-20110166216-A1 Compositions and Methods for Inhibiting Growth and Metastasis of Melanoma BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2011-07-07 — — 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 (9 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-20170304245-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF GPR119, ADIPOR1, FABP4 HSP90AA1 2226/4885CCR6 840/4885PAX8 3601/4885
US-20180194709-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF GPR119, FABP4, ADIPOR1 HSP90AA1 2473/4885CCR6 674/4885PAX8 3588/4885
US-20150274634-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF GPR119, FABP4, ADIPOR1 HSP90AA1 2473/4885CCR6 674/4885PAX8 3588/4885
US-11753436-B2 Analogs of celastrol GIPR, GPR119, EBP HSP90AA1 123/4885CCR6 3242/4885PAX8 965/4885
US-20170266153-A1 COMPOSITIONS PURPOSEFULLY SELECTED COMPRISING PURIFIED CANNABINOIDS AND/OR PURIFIED TERPENES CNR2, CNR1, FAAH HSP90AA1 3956/4885CCR6 293/4885PAX8 2452/4885
US-20150250753-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF GPR119, ADIPOR1, FABP4 HSP90AA1 2226/4885CCR6 840/4885PAX8 3601/4885
US-20180185314-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF GPR119, ADIPOR1, FABP4 HSP90AA1 2226/4885CCR6 840/4885PAX8 3601/4885
US-20110166216-A1 Compositions and Methods for Inhibiting Growth and Metastasis of Melanoma API5, ACIN1, MCL1 HSP90AA1 158/4885CCR6 1953/4885PAX8 2236/4885
US-20140154266-A1 METHODS OF TREATING A METABOLIC SYNDROME BY MODULATING HEAT SHOCK PROTEIN (HSP) 90-BETA HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885CCR6 4692/4885PAX8 4706/4885

“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.