SCHEMBL24834733

SCHEMBL24834733

CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(C)C)C(C)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 7/20 0.56
▸ OPRM1 P35372 4/20 0.52
▸ OPRD1 P41143 4/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ OPRK1 P41145 2/20 0.52
▸ NTSR1 P30989 1/20 0.51

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
SCHEMBL31323238 0.85 KEAP1 (0.58) KEAP1OPRM1OPRD1OPRK1
SCHEMBL30364917 0.84 OPRM1 (0.61) OPRM1OPRD1SLC6A2OPRK1
SCHEMBL14549924 0.84 KEAP1 (0.56) KEAP1OPRM1OPRD1SLC6A2OPRK1
SCHEMBL30163250 0.84 KEAP1 (0.56) KEAP1OPRM1OPRD1SLC6A2OPRK1
SCHEMBL11997748 0.84 KEAP1 (0.56) KEAP1OPRM1OPRD1SLC6A2OPRK1
SCHEMBL31020744 0.83 SLC6A2 (0.63) OPRM1OPRD1SLC6A2NTSR1
SCHEMBL30625026 0.82 OPRM1 (0.64) OPRM1OPRD1SLC6A2NTSR1
SCHEMBL29376302 0.82 OPRM1 (0.64) OPRM1OPRD1SLC6A2NTSR1
SCHEMBL22342218 0.82 KEAP1 (0.54) KEAP1
SCHEMBL29581123 0.82 OPRM1 (0.56) OPRM1OPRD1SLC6A2OPRK1NTSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230003732-A1 METHOD FOR TREATING CANCER THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2023-01-05 — — 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 (1 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-20230003732-A1 METHOD FOR TREATING CANCER GSK3A, GSK3B, GSKIP KEAP1 1800/4885OPRM1 4056/4885OPRD1 3674/4885

“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.

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