SCHEMBL29580398

SCHEMBL29580398

CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 1/20 0.44
▸ CMA1 P23946 1/20 0.42
▸ ACE P12821 2/20 0.41
▸ XIAP P98170 1/20 0.41
▸ REN P00797 1/20 0.41
▸ CALCRL Q16602 3/20 0.41
▸ RAMP1 O60894 1/20 0.41
▸ P2RY12 Q9H244 2/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ PREP P48147 1/20 0.39
▸ FAP Q12884 1/20 0.39
▸ DPP3 Q9NY33 1/20 0.39
▸ ITGB1 P05556 1/20 0.39
▸ ITGA4 P13612 1/20 0.39
▸ NAA50 Q9GZZ1 1/20 0.39

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
SCHEMBL29579502 0.92 ACE (0.43) GRB2CMA1ACEXIAPREN
SCHEMBL29464997 0.86 GRB2 (0.42) GRB2XIAPCALCRLRAMP1PTPN1
SCHEMBL29832826 0.86 PTPN1 (0.43) CMA1ACERENPTPN1ITGB1
SCHEMBL29580081 0.85 POLB (0.39) GRB2CMA1CALCRLRAMP1P2RY12
SCHEMBL30141679 0.85 GRB2 (0.46) GRB2XIAPDPP3
SCHEMBL31031620 0.85 PREP (0.40) GRB2CMA1XIAPCALCRLRAMP1
SCHEMBL29832765 0.83 PTPN1 (0.42) CMA1CALCRLRAMP1PTPN1ITGB1
SCHEMBL28463049 0.82 GRB2 (0.51) GRB2CMA1ACEXIAPREN
SCHEMBL29641635 0.82 GRB2 (0.60) GRB2CMA1ACEXIAPREN
SCHEMBL31426844 0.81 GRB2 (0.44) GRB2XIAPCALCRLRAMP1

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-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 — — US disclosed
US-20220119445-A1 SYNTHETIC CYCLIC PEPTIDES AND METHODS OF PREPARATION AND USE THEREOF NATIONAL SCIENCE FOUNDATION 2022-04-21 — — 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 (2 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-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof VIP, PTMS, IAPP GRB2 340/4885CMA1 1879/4885ACE 515/4885
US-20220119445-A1 SYNTHETIC CYCLIC PEPTIDES AND METHODS OF PREPARATION AND USE THEREOF VIP, PTMS, IAPP GRB2 340/4885CMA1 1879/4885ACE 515/4885

“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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