SCHEMBL5067756

SCHEMBL5067756

COC(=O)CC(C)c1ccc(Cn2cncc(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 16/20 0.49
ITGA4 P13612 16/20 0.49
KDR P35968 3/20 0.45
CSF1R P07333 2/20 0.45
LYN P07948 2/20 0.45
KIT P10721 2/20 0.45
FLT1 P17948 2/20 0.45
FLT4 P35916 2/20 0.45
FLT3 P36888 2/20 0.45
BLK P51451 2/20 0.45
PLK4 O00444 1/20 0.45
AURKA O14965 1/20 0.45
MAPK13 O15264 1/20 0.45
DYRK3 O43781 1/20 0.45
ROCK2 O75116 1/20 0.45
RPS6KA5 O75582 1/20 0.45
RPS6KA4 O75676 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
RET P07949 1/20 0.45

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
SCHEMBL5067758 1.00 ITGB1 (0.49) ITGB1ITGA4KDRCSF1RLYN
SCHEMBL5067755 0.92 ITGB1 (0.51) ITGB1ITGA4
SCHEMBL5065587 0.87 ITGB1 (0.66) ITGB1ITGA4
SCHEMBL5065590 0.87 ITGB1 (0.66) ITGB1ITGA4
SCHEMBL5067750 0.82 ITGB1 (0.37) ITGB1ITGA4
SCHEMBL5065453 0.81 CYP11B1 (0.42) ITGB1ITGA4
SCHEMBL5065458 0.81 CYP11B1 (0.42) ITGB1ITGA4
SCHEMBL5068557 0.79 ITGB1 (0.78) ITGB1ITGA4
SCHEMBL5068560 0.79 ITGB1 (0.78) ITGB1ITGA4
SCHEMBL5065564 0.78 FNTA (0.43) ITGB1ITGA4

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-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-09-25 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-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases ITGB4, ITGA4, ICAM1 ITGB1 5/4885ITGA4 2/4885KDR 1780/4885

“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.