SCHEMBL6545199

SCHEMBL6545199

O=C(O)CC(NC(=O)CNC(=O)CCNC(=O)NCCc1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.58
ITGAV P06756 3/20 0.58
ITGA2B P08514 3/20 0.58
ITGB5 P18084 2/20 0.58
ITGB6 P18564 2/20 0.58
SLC6A9 P48067 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47
EPHX1 P07099 2/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP14 P50281 1/20 0.43
CTSA P10619 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 2/20 0.42
TAOK1 Q7L7X3 1/20 0.42
TAOK3 Q9H2K8 1/20 0.42

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
SCHEMBL6803716 0.95 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB5ITGB6
Trifluoroacetic Acid SCHEMBL6545457 0.94 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL6545505 0.94 ITGB3 (0.65) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL6546130 0.93 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL6545697 0.90 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB6
Trifluoroacetic Acid SCHEMBL6545776 0.90 ITGAV (0.55) ITGB3ITGAVITGA2BITGB5ITGB6
Trifluoroacetic Acid SCHEMBL6545259 0.89 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL6545240 0.88 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL6546156 0.88 ITGAV (0.59) ITGB3ITGAVITGA2BITGB5ITGB6
Trifluoroacetic Acid SCHEMBL6806515 0.88 ITGAV (0.49) ITGB3ITGAVITGA2BITGB5ITGB6

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 2/4885ITGA2B 9/4885

“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.