SCHEMBL30487520

SCHEMBL30487520

C=C1CC(C)(C(=O)N[C@@H](CC(=O)OCC)c2ccc(OC)nc2)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 5/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
LMNA P02545 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
THRB P10828 3/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNA7 P36544 2/20 0.35
GAA P10253 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ROCK2 O75116 1/20 0.34

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
SCHEMBL20158240 1.00 KCNK3 (0.37) KCNK3ITGB1ITGA4LMNAKCNK9
SCHEMBL20140636 0.88 ITGB1 (0.47) KCNK3ITGB1ITGA4LMNAKCNK9
SCHEMBL20158243 0.85 LMNA (0.39) KCNK3ITGB1ITGA4LMNAKCNK9
SCHEMBL20158238 0.84 LMNA (0.39) KCNK3ITGB1ITGA4LMNAKCNK9
SCHEMBL6108573 0.79 KCNK3 (0.42) KCNK3ITGB1ITGA4KCNK9THRB
SCHEMBL6108575 0.79 KCNK3 (0.42) KCNK3ITGB1ITGA4KCNK9THRB
SCHEMBL20153393 0.76 KCNK3 (0.42) KCNK3ITGB1ITGA4KCNK9THRB
SCHEMBL23558962 0.75 OXTR (0.39) KCNK3ITGB1ITGA4KCNK9THRB
SCHEMBL20158259 0.74 ITGB3 (0.46) KCNK3ITGB1ITGA4KCNK9THRB
SCHEMBL30487495 0.74 ITGB1 (0.41) KCNK3ITGB1ITGA4LMNAKCNK9

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 KCNK3 2064/4885ITGB1 1/4885ITGA4 13/4885

“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.