SCHEMBL30207388

SCHEMBL30207388

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.43
▸ OPRD1 P41143 5/20 0.43
▸ OPRK1 P41145 4/20 0.43
▸ FURIN P09958 2/20 0.42
▸ CXCR4 P61073 1/20 0.42
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ OPRL1 P41146 1/20 0.41
▸ IL23R Q5VWK5 2/20 0.41
▸ NPBWR1 P48145 1/20 0.41
▸ PRSS1 P07477 1/20 0.40

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
SCHEMBL29589006 0.90 TFPI (0.45) OPRM1OPRD1OPRK1FURINGRIN2D
SCHEMBL30207401 0.90 FURIN (0.44) OPRM1OPRD1OPRK1FURINNPBWR1
SCHEMBL30659920 0.87 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29940601 0.86 IL23R (0.46) CXCR4IL23R
SCHEMBL12696379 0.85 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29837169 0.84 CALCR (0.46) CXCR4IL23R
SCHEMBL31722881 0.84 OPRM1 (0.46) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL30817884 0.83 BACE1 (0.53) FURINGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22807629 0.83 OPRL1 (0.46) CXCR4OPRL1IL23R
SCHEMBL22807693 0.83 OPRL1 (0.46) CXCR4OPRL1IL23R

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-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 — — 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-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 OPRM1 962/4885OPRD1 447/4885OPRK1 1317/4885

“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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