Sugi Predict

Sugi Predict / Compounds / Demobesin 3

Demobesin 3

Demobesin 3

SCHEMBL31069836

CSCCC[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@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](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 3/20 1.00
▸ NMBR P28336 2/20 1.00
▸ GLP1R P43220 4/20 0.59
▸ GCGR P47871 3/20 0.59
▸ CRHR1 P34998 1/20 0.58
▸ CRHR2 Q13324 1/20 0.58
▸ F2 P00734 4/20 0.58
▸ C5AR1 P21730 1/20 0.57
▸ CTSL P07711 2/20 0.57
▸ CTSS P25774 2/20 0.57
▸ CTSK P43235 2/20 0.57
▸ CTSH P09668 1/20 0.57
▸ CALCR P30988 2/20 0.56

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
SCHEMBL29462210 0.87 NMBR (0.77) GRPRNMBRGLP1RGCGRCRHR1
Bombesin SCHEMBL29353003 0.83 GRPR (0.70) GRPRNMBR
SCHEMBL20764721 0.82 GRPR (0.70) GRPRNMBRGLP1RGCGRC5AR1
SCHEMBL31379433 0.82 NMBR (0.70) GRPRNMBRGLP1RGCGRCRHR1
SCHEMBL31083828 0.82 GLP1R (0.70) GRPRNMBRGLP1RGCGRC5AR1
SCHEMBL29366899 0.82 GLP1R (0.70) GRPRNMBRGLP1RGCGRC5AR1
SCHEMBL30435870 0.82 GLP1R (0.72) GRPRNMBRGLP1RGCGRC5AR1
SCHEMBL23273229 0.81 NMBR (0.69) GRPRNMBRGLP1RGCGRC5AR1
SCHEMBL31182680 0.81 GLP1R (0.74) GRPRNMBRGLP1RGCGRC5AR1
SCHEMBL29382204 0.81 NMBR (0.68) GRPRNMBRGLP1RGCGRCRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841109-B1 PRODRUGS OF HYDROXYL-COMPRISING DRUGS ASCENDIS PHARMA AS (DK) 2026-04-15 — — EP disclosed
US-20240366812-A1 Radiolabeled GRPR-Antagonists for Diagnostic Imaging and Treatment of GRPR-Positive Cancer ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2024-11-07 — — US disclosed
US-12064489-B2 Radiolabeled GRPR-antagonists for diagnostic imaging and treatment of GRPR-positive cancer ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2024-08-20 — — US disclosed
US-12064491-B2 Radiolabeled GRPR-antagonists for diagnostic imaging and treatment of GRPR-positive cancer ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2024-08-20 — — US disclosed
US-12064490-B2 Radiolabeled GRPR-Antagonists for Diagnostic Imaging and Treatment of GRPR-Positive Cancer ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2024-08-20 — — 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 (4 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-20240366812-A1 Radiolabeled GRPR-Antagonists for Diagnostic Imaging and Treatment of GRPR-Positive Cancer GRPR, GIPR, CCKBR GRPR 1/4885NMBR 77/4885GLP1R 7/4885
US-12064490-B2 Radiolabeled GRPR-Antagonists for Diagnostic Imaging and Treatment of GRPR-Positive Cancer GRPR, GIPR, CCKBR GRPR 1/4885NMBR 77/4885GLP1R 7/4885
US-12064491-B2 Radiolabeled GRPR-antagonists for diagnostic imaging and treatment of GRPR-positive cancer GRPR, GIPR, CCKBR GRPR 1/4885NMBR 77/4885GLP1R 7/4885
US-12064489-B2 Radiolabeled GRPR-antagonists for diagnostic imaging and treatment of GRPR-positive cancer GRPR, GIPR, CCKBR GRPR 1/4885NMBR 77/4885GLP1R 7/4885

“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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