SCHEMBL24119321

SCHEMBL24119321

BOc1cc(O)cc(C(=O)NC[C@H](NC(=O)c2c(Cl)cc(C(=O)NCc3cccc(O)c3)cc2Cl)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 2/20 0.46
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
ITGB1 P05556 5/20 0.38
ITGA5 P08648 4/20 0.38
ITGA4 P13612 3/20 0.37
ITGAV P06756 2/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR132 Q9UNW8 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL3866729 0.91 ITGAL (0.51) ITGALROCK2ROCK1ITGB1ITGA5
SCHEMBL16286432 0.91 ITGAL (0.51) ITGALROCK2ROCK1ITGB1ITGA5
SCHEMBL30227636 0.91 ITGAL (0.51) ITGALROCK2ROCK1ITGB1ITGA5
SCHEMBL3871439 0.89 ITGAL (0.51) ITGALROCK2ROCK1ITGB1ITGA5
SCHEMBL21939751 0.85 ITGAL (0.42) ITGALROCK2ROCK1ITGB1ITGA5
SCHEMBL3866036 0.85 ITGAL (0.46) ITGALROCK2ROCK1ITGB1ITGA5
SCHEMBL3866964 0.84 ITGAL (0.49) ITGALITGB1ITGA5NPC1RAB9A
SCHEMBL3869362 0.84 ITGAL (0.49) ITGALROCK2ROCK1ITGB1ITGA5
SCHEMBL3867450 0.83 ITGAL (0.45) ITGALROCK2ROCK1ITGB1ITGA5
SCHEMBL3876678 0.83 ITGAL (0.48) ITGALROCK2ROCK1ITGB1ITGA5

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-20210393811-A1 Imaging Agents and Methods of Use TEXAS HEART INSTITUTE 2021-12-23 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-20210393811-A1 Imaging Agents and Methods of Use ITGA1, ITGA4, CD47 ITGAL 15/4885ROCK2 4295/4885ROCK1 4158/4885

“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.