SCHEMBL5531982

SCHEMBL5531982

CC(C)(C(=O)N1CCC(CC(=O)O)CC1)C(NC(=O)c1ccc(C(=N)N)cc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGA2B P08514 20/20 1.00

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
SCHEMBL7359369 0.82 ITGB3 (0.74) ITGB3ITGA2B
SCHEMBL7835723 0.81 ITGB3 (0.68) ITGB3ITGA2B
SCHEMBL7356494 0.80 ITGB3 (0.68) ITGB3ITGA2B
SCHEMBL7364451 0.80 ITGB3 (0.71) ITGB3ITGA2B
SCHEMBL7363768 0.80 ITGB3 (0.74) ITGB3ITGA2B
SCHEMBL7356801 0.80 ITGB3 (0.67) ITGB3ITGA2B
SCHEMBL7331297 0.79 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7356794 0.78 ITGB3 (0.67) ITGB3ITGA2B
Iodide SCHEMBL9225689 0.78 ITGB3 (0.98) ITGB3ITGA2B
SCHEMBL8789526 0.77 ITGB3 (0.70) ITGB3ITGA2B

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-20070238721-A1 Highly Selective Novel Amidation Method TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-11 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-20070238721-A1 Highly Selective Novel Amidation Method NAAA, CPS1, COASY ITGB3 4773/4885ITGA2B 4439/4885

“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.