SCHEMBL5848166

SCHEMBL5848166

O=C(O)CC(Cc1csc(CCCc2ccc3c(n2)NCCC3)n1)c1ccc(F)c(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 1.00
ITGB3 P05106 18/20 1.00
ITGB6 P18564 17/20 1.00
ITGA2B P08514 13/20 1.00
ITGB5 P18084 2/20 0.56
ITGB8 P26012 2/20 0.55
ITGB1 P05556 2/20 0.54

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
Hydrochloric Acid SCHEMBL5848151 0.99 ITGAV (0.98) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL5848134 0.91 ITGB3 (1.00) ITGAVITGB3ITGB6ITGA2BITGB5
Hydrochloric Acid SCHEMBL5849154 0.90 ITGB3 (0.99) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL5848255 0.90 ITGAV (1.00) ITGAVITGB3ITGB6ITGA2BITGB5
Hydrochloric Acid SCHEMBL5847424 0.90 ITGAV (0.81) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL5847775 0.90 ITGB3 (1.00) ITGAVITGB3ITGB6ITGA2BITGB5
Hydrochloric Acid SCHEMBL5848111 0.89 ITGAV (0.98) ITGAVITGB3ITGB6ITGA2BITGB5
Hydrochloric Acid SCHEMBL5848955 0.89 ITGB3 (0.98) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL5849568 0.88 ITGB3 (1.00) ITGAVITGB3ITGB6ITGA2BITGB5
Hydrochloric Acid SCHEMBL5847550 0.87 ITGB3 (0.98) ITGAVITGB3ITGB6ITGA2BITGB5

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.