SCHEMBL6546022

SCHEMBL6546022

CNC(=S)NCCC(=O)NCC(=O)NC(CC(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.57
ITGAV P06756 6/20 0.57
ITGB6 P18564 5/20 0.57
ITGA2B P08514 5/20 0.57
ITGB5 P18084 4/20 0.57
CTSA P10619 4/20 0.42
ITGB1 P05556 1/20 0.42
ITGA5 P08648 1/20 0.42
TAOK1 Q7L7X3 1/20 0.41
TAOK3 Q9H2K8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ITGB8 P26012 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MMEL1 Q495T6 1/20 0.38
POLB P06746 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL6545677 0.94 ITGB3 (0.52) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL6546059 0.94 ITGAV (0.60) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL6545835 0.93 ITGAV (0.65) ITGB3ITGAVITGB6ITGA2BITGB5
Trifluoroacetic Acid SCHEMBL6545159 0.89 ITGAV (0.55) ITGB3ITGAVITGB6ITGA2BITGB5
Trifluoroacetic Acid SCHEMBL6545196 0.88 ITGAV (0.59) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL6546187 0.88 ITGAV (0.58) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL6811925 0.85 ITGAV (0.43) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL6546156 0.85 ITGAV (0.59) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL6805882 0.85 ITGB3 (0.59) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL6545240 0.85 ITGB3 (0.59) ITGB3ITGAVITGB6ITGA2BITGB5

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-20040142877-A1 Ligands of the $g(a)v$g(b)6 integrin MERCK PATENT GMBH (DE) 2004-07-22 US claimed
US-20040142877-A1 Ligands of the $g(a)v$g(b)6 integrin MERCK PATENT GMBH (DE) 2004-07-22 US disclosed
EP-1379495-A2 LIGANDS OF THE ALPHA-V-BETA 6 INTEGRIN MERCK PATENT GmbH (DE) 2004-01-14 EP disclosed
WO-2002083627-A2 LIGANDS DES INTEGRINS AVSS6 MERCK PATENT GMBH (DE) 2002-10-24 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-20040142877-A1 Ligands of the $g(a)v$g(b)6 integrin ITGB6, ITGAV, ITGB1 ITGB3 13/4885ITGAV 2/4885ITGB6 1/4885

“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.