SCHEMBL30538857

SCHEMBL30538857

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 6/20 0.57
▸ ERAP2 Q6P179 4/20 0.57
▸ OPRM1 P35372 2/20 0.57
▸ OPRD1 P41143 2/20 0.57
▸ MMP2 P08253 4/20 0.54
▸ MMP8 P22894 3/20 0.54
▸ MMP1 P03956 3/20 0.54
▸ MMP9 P14780 2/20 0.54
▸ IL1RN P18510 4/20 0.53
▸ NPBWR1 P48145 1/20 0.53
▸ ERAP1 Q9NZ08 2/20 0.53

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
SCHEMBL30052459 0.96 ECE1 (0.61) ECE1ERAP2OPRM1OPRD1MMP2
SCHEMBL30307309 0.95 OPRM1 (0.62) ECE1ERAP2OPRM1OPRD1IL1RN
SCHEMBL29376430 0.91 OPRM1 (0.61) ECE1ERAP2OPRM1OPRD1MMP2
SCHEMBL30051322 0.89 ECE1 (0.64) ECE1ERAP2OPRM1OPRD1MMP2
SCHEMBL30052868 0.87 KDM4E (0.60) ECE1OPRM1OPRD1MMP2MMP8
SCHEMBL7593998 0.87 KDM4E (0.63) OPRM1OPRD1
SCHEMBL11432177 0.87 ERAP2 (0.56) ERAP2OPRM1OPRD1MMP2MMP8
SCHEMBL30576704 0.87 OPRM1 (0.68) ERAP2OPRM1OPRD1IL1RNNPBWR1
SCHEMBL30576711 0.87 OPRM1 (0.68) ERAP2OPRM1OPRD1IL1RNNPBWR1
SCHEMBL29380319 0.87 ERAP2 (0.64) ECE1ERAP2MMP2MMP8MMP1

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-11713339-B2 Macrocyclization of peptidomimetics UNIVERSITY OF WARWICK (GB) 2023-08-01 — — 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-11713339-B2 Macrocyclization of peptidomimetics NGLY1, MAX, PTMA ECE1 780/4885ERAP2 2626/4885OPRM1 270/4885

“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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