SCHEMBL5847713

SCHEMBL5847713

O=C(O)C[C@H](Cc1csc(CCCc2ccc3c(n2)NCCC3)n1)c1ccc(O)nc1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.81
ITGB3 P05106 19/20 0.81
ITGB6 P18564 13/20 0.81
ITGA2B P08514 11/20 0.78
ITGB8 P26012 1/20 0.55

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
SCHEMBL8309180 1.00 ITGAV (0.81) ITGAVITGB3ITGB6ITGA2BITGB8
Hydrochloric Acid SCHEMBL5847935 0.99 ITGAV (0.80) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL5849547 0.89 ITGB3 (1.00) ITGAVITGB3ITGB6ITGA2B
SCHEMBL5847444 0.89 ITGB3 (1.00) ITGAVITGB3ITGB6ITGA2B
SCHEMBL5847853 0.89 ITGB3 (1.00) ITGAVITGB3ITGB6ITGA2B
Hydrochloric Acid SCHEMBL5849637 0.89 ITGB3 (0.98) ITGAVITGB3ITGB6ITGA2B
Hydrochloric Acid SCHEMBL5847852 0.89 ITGB3 (0.98) ITGAVITGB3ITGB6ITGA2B
SCHEMBL5847775 0.88 ITGB3 (1.00) ITGAVITGB3ITGB6ITGA2BITGB8
SCHEMBL5849568 0.88 ITGB3 (1.00) ITGAVITGB3ITGB6ITGA2BITGB8
Hydrochloric Acid SCHEMBL5847550 0.87 ITGB3 (0.98) ITGAVITGB3ITGB6ITGA2BITGB8

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 7 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
US-7115596-B2 Thiazole compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2006-10-03 US disclosed
US-20050004189-A1 Thiazole compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-01-06 US disclosed
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 ITGAV 5/4885ITGB3 4/4885ITGB6 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.