SCHEMBL30037692

SCHEMBL30037692

N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGAV P06756 5/20 0.60
▸ ITGB3 P05106 4/20 0.60
▸ ITGA5 P08648 4/20 0.60
▸ ITGB1 P05556 2/20 0.60
▸ ITGB5 P18084 2/20 0.60
▸ ERBB2 P04626 1/20 0.55
▸ ITGB8 P26012 2/20 0.54
▸ HDAC1 Q13547 2/20 0.54
▸ ITGB6 P18564 1/20 0.54
▸ KRAS P01116 1/20 0.54
▸ PIN1 Q13526 5/20 0.54
▸ KEAP1 Q14145 1/20 0.53
▸ NFE2L2 Q16236 1/20 0.53
▸ HDAC4 P56524 2/20 0.51
▸ HDAC3 O15379 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51

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
SCHEMBL29666726 0.92 ITGAV (0.56) ITGAVITGB3ITGA5ITGB1ITGB5
SCHEMBL29666771 0.89 ERBB2 (0.57) ITGAVITGB3ITGA5ITGB1ITGB5
SCHEMBL21766911 0.88 ITGB3 (0.58) ITGAVITGB3ITGA5ITGB1ITGB5
SCHEMBL20888358 0.88 ITGB3 (0.58) ITGAVITGB3ITGA5ITGB1ITGB5
SCHEMBL19605458 0.88 ITGB3 (0.58) ITGAVITGB3ITGA5ITGB1ITGB5
SCHEMBL29540531 0.88 ITGAV (0.65) ITGAVITGB3ITGA5ITGB1ITGB5
SCHEMBL30883998 0.88 ITGAV (0.64) ITGAVITGB3ITGA5ITGB1ITGB5
SCHEMBL29666785 0.87 HDAC4 (0.60) ITGAVITGB3ITGA5ITGB1ITGB5
SCHEMBL29666836 0.86 HDAC4 (0.57) ITGAVITGB3ITGA5ITGB1ITGB5
SCHEMBL29811181 0.85 ITGAV (0.59) ITGAVITGB3ITGA5ITGB1ITGB5

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-12258422-B2 Cyclopeptide and method for preparing the same NATIONAL TSING HUA UNIVERSITY (TW) 2025-03-25 — — US disclosed
CN-113121647-B Cyclic peptides and process for their preparation 陈建添 2024-09-17 — — CN disclosed
US-20220372073-A1 CYCLOPEPTIDE AND METHOD FOR PREPARING THE SAME NATIONAL TSING HUA UNIVERSITY (TW) 2022-11-24 — — US disclosed
US-11485756-B2 Cyclic RGD peptide and method for preparing the same NATIONAL TSING HUA UNIVERSITY (TW) 2022-11-01 — — 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 (3 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-12258422-B2 Cyclopeptide and method for preparing the same PPIL4, PPIB, PPID ITGAV 4345/4885ITGB3 4680/4885ITGA5 3594/4885
US-20220372073-A1 CYCLOPEPTIDE AND METHOD FOR PREPARING THE SAME PPIL4, PPIB, PPID ITGAV 4345/4885ITGB3 4680/4885ITGA5 3594/4885
US-11485756-B2 Cyclic RGD peptide and method for preparing the same NGLY1, GRPR, IGFBP1 ITGAV 1794/4885ITGB3 1476/4885ITGA5 1841/4885

“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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