SCHEMBL6545161

SCHEMBL6545161

O=C(O)CC(NC(=O)CNC(=O)CCCNC(=S)NCc1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 5/20 0.58
ITGB3 P05106 5/20 0.58
ITGB6 P18564 4/20 0.58
ITGB5 P18084 3/20 0.58
ITGA2B P08514 3/20 0.58
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
ITGB1 P05556 1/20 0.45
ITGA5 P08648 1/20 0.45
POLB P06746 2/20 0.42
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
ITGB8 P26012 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSA P10619 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL6545864 0.97 ITGAV (0.62) ITGAVITGB3ITGB6ITGB5ITGA2B
Trifluoroacetic Acid SCHEMBL6807621 0.95 ITGAV (0.54) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL6546187 0.94 ITGAV (0.58) ITGAVITGB3ITGB6ITGB5ITGA2B
Trifluoroacetic Acid SCHEMBL6545856 0.92 ITGAV (0.57) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL6546521 0.90 ITGAV (0.63) ITGAVITGB3ITGB6ITGB5ITGA2B
Trifluoroacetic Acid SCHEMBL6546228 0.89 ITGAV (0.53) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL6546059 0.88 ITGAV (0.60) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL6545835 0.85 ITGAV (0.65) ITGAVITGB3ITGB6ITGB5ITGA2B
Trifluoroacetic Acid SCHEMBL6546147 0.85 ITGAV (0.57) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL6803716 0.84 ITGB3 (0.60) ITGAVITGB3ITGB6ITGB5ITGA2B

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 6 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
EP-1379495-A2 LIGANDS OF THE ALPHA-V-BETA 6 INTEGRIN MERCK PATENT GmbH (DE) 2004-01-14 EP claimed
WO-2002083627-A2 LIGANDS DES INTEGRINS AVSS6 MERCK PATENT GMBH (DE) 2002-10-24 WO 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 ITGAV 2/4885ITGB3 13/4885ITGB6 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.