SCHEMBL5065458

SCHEMBL5065458

COC(=O)CC(C)c1ccc(Cn2cncc(-c3ccc(N)cc3)c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.42
CYP11B2 P19099 9/20 0.42
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
ITGB1 P05556 8/20 0.40
ITGA4 P13612 8/20 0.40
PGGT1B P53609 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL5065453 1.00 CYP11B1 (0.42) CYP11B1CYP11B2FNTAFNTBITGB1
SCHEMBL5065572 0.87 FNTA (0.43) CYP11B1CYP11B2FNTAFNTBITGB1
SCHEMBL5065564 0.87 FNTA (0.43) CYP11B1CYP11B2FNTAFNTBITGB1
SCHEMBL5067755 0.85 ITGB1 (0.51) ITGB1ITGA4
SCHEMBL5067756 0.81 ITGB1 (0.49) ITGB1ITGA4
SCHEMBL5065590 0.81 ITGB1 (0.66) ITGB1ITGA4
SCHEMBL5065587 0.81 ITGB1 (0.66) ITGB1ITGA4
SCHEMBL5067758 0.81 ITGB1 (0.49) ITGB1ITGA4
SCHEMBL5067750 0.81 ITGB1 (0.37) CYP11B1CYP11B2ITGB1ITGA4
SCHEMBL27679888 0.79 FNTA (0.38) FNTAFNTBITGB1ITGA4PGGT1B

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 CYP11B1 2539/4885CYP11B2 3072/4885FNTA 997/4885

“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.