SCHEMBL17176231

SCHEMBL17176231

CCCCC(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)NC(CO)C(C)=O)C(C)O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 12/20 0.64
▸ OPRM1 P35372 11/20 0.64
▸ OPRK1 P41145 3/20 0.64
▸ PSMB5 P28074 3/20 0.49
▸ GRIA1 P42261 1/20 0.47
▸ IL23R Q5VWK5 1/20 0.46
▸ CHRND Q07001 2/20 0.46

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
SCHEMBL17176402 0.92 OPRD1 (0.60) OPRD1OPRM1OPRK1PSMB5IL23R
SCHEMBL17176392 0.89 OPRD1 (0.57) OPRD1OPRM1OPRK1PSMB5IL23R
SCHEMBL17176534 0.86 OPRM1 (0.60) OPRD1OPRM1OPRK1IL23R
SCHEMBL13796086 0.84 OPRD1 (0.55) OPRD1OPRM1OPRK1PSMB5GRIA1
SCHEMBL16509064 0.84 OPRM1 (0.55) OPRD1OPRM1OPRK1GRIA1CHRND
SCHEMBL18331058 0.82 OPRD1 (0.57) OPRD1OPRM1OPRK1
SCHEMBL16508987 0.82 OPRD1 (0.52) OPRD1OPRM1OPRK1GRIA1
SCHEMBL16509109 0.81 OPRD1 (0.53) OPRD1OPRM1OPRK1GRIA1
SCHEMBL13519969 0.78 OPRD1 (0.51) OPRD1OPRM1OPRK1GRIA1
SCHEMBL10168623 0.78 PSMB5 (0.53) OPRD1OPRM1OPRK1PSMB5

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-20150290341-A1 TARGETED IDURONATE-2-SULFATASE COMPOUNDS Anglachem Inc. (CA) 2015-10-15 — — 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-20150290341-A1 TARGETED IDURONATE-2-SULFATASE COMPOUNDS IDUA, GAA, MAN2B1 OPRD1 4575/4885OPRM1 4520/4885OPRK1 4753/4885

“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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