SCHEMBL27049775

SCHEMBL27049775

O=C(O)CC[C@H]1CC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)CC(=O)N[C@@H](CS)C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.47
ITGA5 P08648 6/20 0.47
ITGB3 P05106 5/20 0.47
ITGAV P06756 5/20 0.47
ITGB2 P05107 1/20 0.47
ITGA2B P08514 1/20 0.47
ITGB5 P18084 1/20 0.47
ITGAL P20701 1/20 0.47
HDAC3 O15379 8/20 0.40
HDAC1 Q13547 8/20 0.40
HDAC2 Q92769 7/20 0.40
HDAC10 Q969S8 7/20 0.40
HDAC11 Q96DB2 7/20 0.40
HDAC6 Q9UBN7 4/20 0.39
HDAC8 Q9BY41 5/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7264417 0.85 ITGB1 (0.63) ITGB1ITGA5ITGB3ITGAVITGB2
SCHEMBL4403998 0.78 NPSR1 (0.45) ITGB1ITGA5ITGB3ITGAVITGB2
SCHEMBL385148 0.74 ITGB1 (0.59) ITGB1ITGA5ITGB3ITGAVITGB2
SCHEMBL386052 0.74 ITGB1 (0.59) ITGB1ITGA5ITGB3ITGAVITGB2
SCHEMBL27049774 0.73 CAD (0.45) ITGB1ITGA5ITGB3ITGAVITGB2
SCHEMBL27049870 0.71 HDAC1 (0.39) ITGB1ITGA5ITGB3ITGAVITGB2
SCHEMBL24491239 0.71 TACR2 (0.46) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL1679984 0.69 NPSR1 (0.50) ITGB1ITGA5ITGB3ITGAVITGB2
SCHEMBL31707085 0.69 NPSR1 (0.50) ITGB1ITGA5ITGB3ITGAVITGB2
SCHEMBL1114601 0.69 ITGB1 (0.50) ITGB1ITGA5ITGB3ITGAVITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025946-A1 Cyclic Tetrapeptides and Metal Complexes Thereof Universität Zürich (CH) 2024-01-25 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-20240025946-A1 Cyclic Tetrapeptides and Metal Complexes Thereof VIP, PTMS, PEPD ITGB1 4810/4885ITGA5 4863/4885ITGB3 4627/4885

“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.