SCHEMBL5849547

SCHEMBL5849547

COc1ccc([C@@H](CC(=O)O)Cc2csc(CCCc3ccc4c(n3)NCCC4)n2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGAV P06756 20/20 1.00
ITGB6 P18564 13/20 1.00
ITGA2B P08514 10/20 0.77

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
SCHEMBL5847444 1.00 ITGB3 (1.00) ITGB3ITGAVITGB6ITGA2B
SCHEMBL5847853 1.00 ITGB3 (1.00) ITGB3ITGAVITGB6ITGA2B
Hydrochloric Acid SCHEMBL5849637 0.99 ITGB3 (0.98) ITGB3ITGAVITGB6ITGA2B
Hydrochloric Acid SCHEMBL5847852 0.99 ITGB3 (0.98) ITGB3ITGAVITGB6ITGA2B
SCHEMBL5847771 0.92 ITGB3 (0.85) ITGB3ITGAVITGB6ITGA2B
Hydrochloric Acid SCHEMBL5848066 0.91 ITGB3 (0.84) ITGB3ITGAVITGB6ITGA2B
SCHEMBL5847713 0.89 ITGAV (0.81) ITGB3ITGAVITGB6ITGA2B
SCHEMBL8309180 0.89 ITGAV (0.81) ITGB3ITGAVITGB6ITGA2B
Hydrochloric Acid SCHEMBL5847935 0.89 ITGAV (0.80) ITGB3ITGAVITGB6ITGA2B
SCHEMBL5849800 0.87 ITGB3 (1.00) ITGB3ITGAVITGB6ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115596-B2 Thiazole compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2006-10-03 US claimed
EP-1572690-A1 THIAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES Pharmacia Corporation (US) 2005-09-14 EP claimed
US-20050004189-A1 Thiazole compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-01-06 US claimed
WO-2004058760-A1 THIAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPORATION (US) 2004-07-15 WO claimed
WO-2004058760-A1 THIAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPORATION (US) 2004-07-15 WO 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-20050004189-A1 Thiazole compounds as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGAL ITGB3 4/4885ITGAV 5/4885ITGB6 11/4885

“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.