Sugi Predict

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SCHEMBL1526993

SCHEMBL1526993

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)C(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC(=O)CNC(=O)CN5CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC5)CC[C@]4(C)[C@H]3CC(=O)[C@]12C)C(C)C)C(N)=O

nearest known ligand 0.89

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 20/20 0.89

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
SCHEMBL1251393 1.00 GRPR (0.89) GRPR
SCHEMBL16317504 1.00 GRPR (0.89) GRPR
SCHEMBL1251420 1.00 GRPR (0.89) GRPR
SCHEMBL12419854 0.97 GRPR (0.84) GRPR
SCHEMBL1356632 0.97 GRPR (0.84) GRPR
SCHEMBL1356610 0.97 GRPR (0.84) GRPR
SCHEMBL16301384 0.95 GRPR (0.81) GRPR
SCHEMBL1413930 0.95 GRPR (0.80) GRPR
SCHEMBL13769846 0.94 GRPR (0.80) GRPR
SCHEMBL1251567 0.93 GRPR (0.89) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420053-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2013-04-16 — — US claimed
US-8420053-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2013-04-16 — — US disclosed
US-20110052491-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2011-03-03 — — US disclosed
US-7611692-B2 bombesin, derivatives and/or analogues capable of complexing metal ions, radionuclides or optical labels, for use in radiotherapy BRACCO IMAGING S.P.A. (IT) 2009-11-03 — — 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-20110052491-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS GRPR, GIPR, CCKBR GRPR 1/4885

“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.