SCHEMBL29579502

SCHEMBL29579502

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 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.43
▸ REN P00797 1/20 0.43
▸ XIAP P98170 1/20 0.43
▸ CMA1 P23946 1/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ PREP P48147 1/20 0.41
▸ FAP Q12884 1/20 0.41
▸ CALCRL Q16602 2/20 0.40
▸ RAMP1 O60894 1/20 0.40
▸ GRB2 P62993 1/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ P2RY12 Q9H244 2/20 0.39
▸ POLB P06746 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
SCHEMBL29580398 0.92 GRB2 (0.44) ACERENXIAPCMA1DPP4
SCHEMBL29579416 0.89 CALCRL (0.54) CMA1CALCRLRAMP1POLB
SCHEMBL31661806 0.88 APLNR (0.47) ACEGRB2
SCHEMBL29832826 0.88 PTPN1 (0.43) ACERENCMA1ITGB1ITGA4
SCHEMBL29580081 0.87 POLB (0.39) CMA1DPP4FAPCALCRLRAMP1
SCHEMBL30139051 0.85 OPRM1 (0.44) XIAPDPP4PREPFAPCALCRL
SCHEMBL29482768 0.85 ACE (0.54) ACERENXIAPCMA1DPP4
SCHEMBL29350341 0.85 ACE (0.54) ACERENXIAPCMA1DPP4
SCHEMBL29832765 0.84 PTPN1 (0.42) CMA1CALCRLRAMP1ITGB1ITGA4
SCHEMBL30745234 0.84 GRB2 (0.42) XIAPGRB2

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 ACE 515/4885REN 180/4885XIAP 384/4885
US-20220119445-A1 SYNTHETIC CYCLIC PEPTIDES AND METHODS OF PREPARATION AND USE THEREOF VIP, PTMS, IAPP ACE 515/4885REN 180/4885XIAP 384/4885

“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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