SCHEMBL6805897

SCHEMBL6805897

O=C(CCCNC(=O)NCc1ccccc1Cl)NCC(=O)NC(CC(=O)OC(=O)C(F)(F)F)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 5/20 0.43
ITGB6 P18564 4/20 0.43
ITGB3 P05106 4/20 0.43
ITGB5 P18084 3/20 0.43
ITGA2B P08514 2/20 0.43
CASR P41180 1/20 0.41
KMT2A Q03164 2/20 0.39
ITGB1 P05556 1/20 0.39
ITGA5 P08648 1/20 0.39
NPC1 O15118 2/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MMP14 P50281 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL6812221 0.98 ITGAV (0.46) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL6806367 0.96 CASR (0.43) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL6803228 0.91 ITGAV (0.43) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL6806827 0.90 ITGAV (0.42) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL6804616 0.90 ITGAV (0.48) ITGAVITGB6ITGB3ITGB5ITGA2B
Trifluoroacetic Acid SCHEMBL6805896 0.89 ITGAV (0.51) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL6808208 0.88 ITGAV (0.46) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL6802854 0.88 ITGAV (0.44) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL6801129 0.87 ITGAV (0.47) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL6807882 0.87 ITGAV (0.47) ITGAVITGB6ITGB3ITGB5ITGA2B

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 1 patent. 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 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 2/4885ITGB6 1/4885ITGB3 13/4885

“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.