SCHEMBL7073036

SCHEMBL7073036

CCC(NC(=N)N)Oc1cccc2c1NC(=O)C(CC(=O)O)C2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.30
ITGA2B P08514 3/20 0.30
F2 P00734 2/20 0.30
PRSS1 P07477 2/20 0.30
PPARD Q03181 1/20 0.30

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
SCHEMBL7071278 0.80 PPARD (0.34) ITGB3ITGA2BPPARD
Hydrochloric Acid SCHEMBL7071485 0.79 ITGB3 (0.34) ITGB3ITGA2BPPARD
SCHEMBL7073042 0.77 ITGB3 (0.36) ITGB3ITGA2BPPARD
SCHEMBL7073029 0.76 PPARD (0.34) ITGB3ITGA2BPPARD
SCHEMBL7073055 0.76 ITGB3 (0.33) ITGB3ITGA2BPPARD
SCHEMBL7075936 0.72 KDR (0.32)
SCHEMBL7075186 0.72 PDE3B (0.33)
SCHEMBL7073142 0.69 XIAP (0.42) ITGB3ITGA2B
SCHEMBL7076035 0.67 LMNA (0.41)
Trifluoroacetic Acid SCHEMBL7071326 0.66 ITGB3 (0.36) ITGB3ITGA2BPRSS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin WYETH (US) 2003-06-12 US claimed
US-6429214-B1 INHIBITORS OF BONE RESORPTION WYETH 2002-08-06 US claimed
US-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin WYETH (US) 2003-06-12 US disclosed
US-6429214-B1 INHIBITORS OF BONE RESORPTION WYETH 2002-08-06 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-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin ITGAV, ITGB2, ITGB3 ITGB3 3/4885ITGA2B 7/4885F2 1038/4885

“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.