SCHEMBL24433486

SCHEMBL24433486

CC(C)C1C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)N1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.51
ITGAV P06756 9/20 0.51
ITGA2B P08514 3/20 0.51
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
LDLR P01130 1/20 0.48
PCSK9 Q8NBP7 1/20 0.48
ITGB1 P05556 7/20 0.48
ITGA5 P08648 7/20 0.48
ITGB6 P18564 6/20 0.48
ITGB8 P26012 5/20 0.48

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
SCHEMBL22193945 1.00 ITGB3 (0.51) ITGB3ITGAVITGA2BHDAC3HDAC1
SCHEMBL22193994 1.00 ITGB3 (0.51) ITGB3ITGAVITGA2BHDAC3HDAC1
SCHEMBL22193877 1.00 ITGB3 (0.51) ITGB3ITGAVITGA2BHDAC3HDAC1
SCHEMBL18504802 0.94 HDAC8 (0.46) ITGB3ITGAVITGA2BHDAC3HDAC1
SCHEMBL18504798 0.94 HDAC8 (0.46) ITGB3ITGAVITGA2BHDAC3HDAC1
SCHEMBL16883967 0.90 ITGB3 (0.49) ITGB3ITGAVITGA2BHDAC3HDAC1
SCHEMBL16883952 0.90 ITGB3 (0.49) ITGB3ITGAVITGA2BHDAC3HDAC1
SCHEMBL22193974 0.88 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL16883990 0.88 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL16884024 0.88 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB1ITGA5

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-20220153812-A1 INTEGRIN ANTAGONISTS THE GENERAL HOSPITAL CORPORATION 2022-05-19 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-20220153812-A1 INTEGRIN ANTAGONISTS ITGB3, ITGA2B, ITGB1 ITGB3 1/4885ITGAV 8/4885ITGA2B 2/4885

“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.