Sugi Predict

Sugi Predict / Compounds / SCHEMBL16508313

SCHEMBL16508313

SCHEMBL16508313

CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)CCCC(=O)N[C@]12CNCCNC[C@](N)(CNCCNC1)CNCCN2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 14/20 0.52
▸ GLP1R P43220 2/20 0.46
▸ IL23R Q5VWK5 1/20 0.46
▸ PCSK9 Q8NBP7 1/20 0.46
▸ NMBR P28336 1/20 0.45

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
SCHEMBL19102241 0.96 GRPR (0.52) GRPRGLP1RIL23RPCSK9NMBR
SCHEMBL19372498 0.87 GRPR (0.56) GRPRNMBR
SCHEMBL21186302 0.86 GRPR (0.56) GRPRNMBR
SCHEMBL19365036 0.86 GRPR (0.57) GRPRNMBR
SCHEMBL19372502 0.83 GRPR (0.56) GRPRNMBR
SCHEMBL18265511 0.83 GRPR (0.56) GRPRNMBR
SCHEMBL31060626 0.82 GRPR (0.58) GRPRGLP1RIL23R
SCHEMBL16508351 0.81 BECN1 (0.36) GRPR
SCHEMBL19365164 0.80 GRPR (0.55) GRPRNMBR
SCHEMBL29475770 0.77 GRPR (0.72) GRPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701694-B2 Nitrogen-containing macrocyclic conjugates as radiopharmaceuticals THE UNIVERSITY OF MELBOURNE (AU) 2017-07-11 — — US disclosed
US-20110293517-A1 Nitrogen-Containing Macrocyclic Conjugates As Radiopharmaceuticals THE UNIVERSITY OF MELBOURNE (AU) 2011-12-01 — — 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-20110293517-A1 Nitrogen-Containing Macrocyclic Conjugates As Radiopharmaceuticals NCL, NUDC, C3AR1 GRPR 57/4885GLP1R 3197/4885IL23R 2242/4885

“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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