SCHEMBL30487522

SCHEMBL30487522

COc1ccc([C@H](CC(=O)O)NC(=O)N2CC(/C=C/c3ccc4cccnc4n3)C2)cn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
USP9X Q93008 2/20 0.38
CHRNA7 P36544 1/20 0.36
ITGB3 P05106 9/20 0.35
ITGA2B P08514 6/20 0.35
KCNK3 O14649 3/20 0.35
ITGAV P06756 4/20 0.34
P2RX3 P56373 2/20 0.33
P2RX2 Q9UBL9 2/20 0.33
ITGB5 P18084 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL29702401 1.00 ITGB1 (0.41) ITGB1ITGA4USP9XCHRNA7ITGB3
SCHEMBL21314426 1.00 ITGB1 (0.41) ITGB1ITGA4USP9XCHRNA7ITGB3
SCHEMBL20158249 1.00 ITGB1 (0.41) ITGB1ITGA4USP9XCHRNA7ITGB3
SCHEMBL21314425 1.00 ITGB1 (0.41) ITGB1ITGA4USP9XCHRNA7ITGB3
SCHEMBL30487528 0.91 LMNA (0.36) ITGB1ITGA4USP9XCHRNA7KCNK3
SCHEMBL20158250 0.91 LMNA (0.36) ITGB1ITGA4USP9XCHRNA7KCNK3
SCHEMBL20142360 0.82 ITGAV (0.53) ITGB1ITGB3ITGA2BITGAVITGB5
SCHEMBL20142358 0.82 ITGAV (0.53) ITGB1ITGB3ITGA2BITGAVITGB5
SCHEMBL23404646 0.77 ITGB1 (0.39) ITGB1ITGA4USP9XKCNK3
SCHEMBL23404650 0.77 ITGB1 (0.39) ITGB1ITGA4USP9XKCNK3

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-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 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-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 ITGB1 1/4885ITGA4 13/4885USP9X 2990/4885

“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.