SCHEMBL17124756

SCHEMBL17124756

CCNC(=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 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 7/20 1.00
TERT O14746 7/20 0.85
PTPN1 P18031 1/20 0.78
CASP1 P29466 1/20 0.78
ABHD6 Q9BV23 1/20 0.78
KDM4E B2RXH2 1/20 0.78
TP53 P04637 1/20 0.78
CYP3A4 P08684 1/20 0.78
MAPT P10636 1/20 0.78
HPGD P15428 1/20 0.78
ALOX15 P16050 1/20 0.78
ALOX12 P18054 1/20 0.78
MAPK1 P28482 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
TDP1 Q9NUW8 1/20 0.78
HSP90AA1 P07900 1/20 0.78
CCR6 P51684 1/20 0.78
PAX8 Q06710 1/20 0.78
TLR9 Q9NR96 1/20 0.78
PRDX1 Q06830 1/20 0.78

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
SCHEMBL18782082 0.92 NR4A1 (0.85) NR4A1TERTPTPN1CASP1ABHD6
SCHEMBL24927429 0.92 TERT (1.00) NR4A1TERTPTPN1CASP1ABHD6
SCHEMBL19733508 0.92 TERT (1.00) NR4A1TERTPTPN1CASP1ABHD6
SCHEMBL18781794 0.92 NR4A1 (0.84) NR4A1TERTPTPN1CASP1ABHD6
SCHEMBL13943187 0.91 NR4A1 (1.00) NR4A1TERTPTPN1CASP1ABHD6
SCHEMBL19733643 0.91 NR4A1 (0.87) NR4A1TERTPTPN1CASP1ABHD6
SCHEMBL13944038 0.91 NR4A1 (1.00) NR4A1TERTPTPN1CASP1ABHD6
SCHEMBL12462656 0.91 NR4A1 (1.00) NR4A1TERTPTPN1CASP1ABHD6
SCHEMBL20371742 0.90 NR4A1 (0.82) NR4A1TERTPTPN1CASP1ABHD6
SCHEMBL12462879 0.90 NR4A1 (0.84) NR4A1TERTPTPN1CASP1ABHD6

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 10 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-11753436-B2 Analogs of celastrol ERX PHARMACEUTICALS CORPORATION (US) 2023-09-12 US disclosed
US-20210061851-A1 ANALOGS OF CELASTROL ERX PHARMACEUTICALS CORPORATION 2021-03-04 US disclosed
US-10662218-B2 Analogs of celastrol ERX PHARMACEUTICALS CORPORATION 2020-05-26 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-20180194709-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION 2018-07-12 US disclosed
WO-2017070615-A1 ANALOGS OF CELASTROL ERX PHARMACEUTICALS, INC. (US) 2017-04-27 WO 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
WO-2015148802-A1 CELASTROL AND DERIVATIVES FOR THE TREATMENT OF OBESITY THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2015-10-01 WO 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

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-20210061851-A1 ANALOGS OF CELASTROL GIPR, GPR119, EBP NR4A1 1945/4885TERT 3225/4885PTPN1 4495/4885
US-20180194709-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF GPR119, FABP4, ADIPOR1 NR4A1 2631/4885TERT 3318/4885PTPN1 1328/4885
US-20150274634-A1 COMPOUNDS FOR THE TREATMENT OF OBESITY AND METHODS OF USE THEREOF GPR119, FABP4, ADIPOR1 NR4A1 2631/4885TERT 3318/4885PTPN1 1328/4885
US-10662218-B2 Analogs of celastrol GIPR, GPR119, EBP NR4A1 1945/4885TERT 3225/4885PTPN1 4495/4885
US-11753436-B2 Analogs of celastrol GIPR, GPR119, EBP NR4A1 1945/4885TERT 3225/4885PTPN1 4495/4885

“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.