SCHEMBL22010609

SCHEMBL22010609

CCNC(=O)N[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(CC)[C@@H]2C1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PRDX1 Q06830 18/20 0.68
NR4A1 P22736 2/20 0.63

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
SCHEMBL22010877 0.91 PRDX1 (0.63) PRDX1NR4A1
SCHEMBL18781883 0.90 PRDX1 (0.83) PRDX1NR4A1
SCHEMBL22010596 0.89 PRDX1 (0.67) PRDX1NR4A1
SCHEMBL20371742 0.87 NR4A1 (0.82) PRDX1NR4A1
SCHEMBL22011631 0.85 PRDX1 (0.57) PRDX1NR4A1
SCHEMBL21529185 0.84 NR4A1 (0.78) NR4A1
SCHEMBL22010874 0.83 HSP90AA1 (0.77) NR4A1
SCHEMBL23490905 0.83 NR4A1 (0.70) PRDX1NR4A1
SCHEMBL22010584 0.83 TERT (0.79) NR4A1
SCHEMBL22011634 0.83 NR4A1 (0.79) PRDX1NR4A1

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 2 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-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 (2 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-10662218-B2 Analogs of celastrol GIPR, GPR119, EBP PRDX1 4176/4885NR4A1 1945/4885
US-11753436-B2 Analogs of celastrol GIPR, GPR119, EBP PRDX1 4176/4885NR4A1 1945/4885

“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.