SCHEMBL29826102

SCHEMBL29826102

C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.46
▸ OPRL1 P41146 8/20 0.44
▸ IL23R Q5VWK5 3/20 0.42
▸ OPRM1 P35372 2/20 0.41
▸ OPRD1 P41143 2/20 0.41
▸ OPRK1 P41145 2/20 0.41

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
SCHEMBL30033370 0.85 FURIN (0.42) KEAP1OPRL1OPRM1OPRD1OPRK1
SCHEMBL13227437 0.85 KEAP1 (0.43) KEAP1OPRL1IL23R
SCHEMBL29826494 0.84 FOLH1 (0.47) KEAP1OPRL1
SCHEMBL28081238 0.84 OPRL1 (0.51) OPRL1
SCHEMBL31734739 0.83 FURIN (0.49) —
SCHEMBL30032541 0.83 BACE1 (0.45) OPRL1
SCHEMBL13254722 0.82 IL23R (0.54) IL23ROPRM1OPRD1OPRK1
SCHEMBL13209217 0.82 IL23R (0.61) IL23R
SCHEMBL31031517 0.81 BACE1 (0.44) KEAP1
SCHEMBL31307269 0.81 FURIN (0.44) KEAP1OPRL1

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-20220273830-A1 COMPOUNDS AND METHODS OF USE Edinburgh Molecular Imaging Limited (GB) 2022-09-01 — — 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 (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-20220273830-A1 COMPOUNDS AND METHODS OF USE VIP, QPCT, CALCRL KEAP1 3557/4885OPRL1 1286/4885IL23R 900/4885

“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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