SCHEMBL22010585

SCHEMBL22010585

CC1=C(OC(=O)OC(C)(C)C)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(N)=O)CC[C@]3(C)CC[C@]12C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 6/20 0.66
CASP3 P42574 9/20 0.64
PTPN1 P18031 1/20 0.61
CASP1 P29466 1/20 0.61
ABHD6 Q9BV23 1/20 0.61
KDM4E B2RXH2 1/20 0.61
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
ALOX12 P18054 1/20 0.61
MAPK1 P28482 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
PRDX1 Q06830 2/20 0.61
HSP90AA1 P07900 1/20 0.60
CCR6 P51684 1/20 0.60
PAX8 Q06710 1/20 0.60
TLR9 Q9NR96 1/20 0.60

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
SCHEMBL18782060 0.91 NR4A1 (0.71) NR4A1CASP3PRDX1TERT
SCHEMBL22010571 0.91 NR4A1 (0.71) NR4A1CASP3PRDX1TERT
SCHEMBL23054380 0.91 NR4A1 (0.71) NR4A1CASP3PRDX1TERT
SCHEMBL26211178 0.89 NR4A1 (0.54) NR4A1CASP3PRDX1TERT
SCHEMBL18781816 0.89 NR4A1 (0.69) NR4A1CASP3PTPN1CASP1ABHD6
SCHEMBL18782074 0.88 NR4A1 (0.84) NR4A1CASP3PTPN1CASP1ABHD6
SCHEMBL22010603 0.85 NR4A1 (0.83) NR4A1CASP3PTPN1CASP1ABHD6
SCHEMBL22010991 0.85 NR4A1 (0.70) NR4A1CASP3PTPN1CASP1ABHD6
SCHEMBL18782055 0.85 NR4A1 (0.70) NR4A1CASP3PTPN1CASP1ABHD6
SCHEMBL18782057 0.85 NR4A1 (0.83) NR4A1CASP3PTPN1CASP1ABHD6

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 4 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

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-20210061851-A1 ANALOGS OF CELASTROL GIPR, GPR119, EBP NR4A1 1945/4885CASP3 247/4885PTPN1 4495/4885
US-10662218-B2 Analogs of celastrol GIPR, GPR119, EBP NR4A1 1945/4885CASP3 247/4885PTPN1 4495/4885
US-11753436-B2 Analogs of celastrol GIPR, GPR119, EBP NR4A1 1945/4885CASP3 247/4885PTPN1 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.