SCHEMBL6807578

SCHEMBL6807578

O=C(CCCNC(=O)Nc1ccc2ccccc2c1)NCC(=O)NC(CC(=O)OC(=O)C(F)(F)F)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
ITGAV P06756 5/20 0.43
ITGB6 P18564 4/20 0.43
ITGB1 P05556 1/20 0.43
ITGA5 P08648 1/20 0.43
ITGB3 P05106 4/20 0.43
ITGB5 P18084 3/20 0.43
ITGA2B P08514 2/20 0.43
F7 P08709 2/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
CASR P41180 2/20 0.36
HDAC3 O15379 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
UTS2R Q9UKP6 1/20 0.35
HDAC4 P56524 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35

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
SCHEMBL6811732 0.98 EPHX1 (0.47) EPHX1ITGAVITGB6ITGB1ITGA5
SCHEMBL6806722 0.96 EPHX1 (0.41) EPHX1ITGAVITGB6ITGB1ITGA5
SCHEMBL6801129 0.91 ITGAV (0.47) EPHX1ITGAVITGB6ITGB1ITGA5
SCHEMBL6806203 0.89 ITGAV (0.44) ITGAVITGB6ITGB1ITGA5ITGB3
Trifluoroacetic Acid SCHEMBL6807573 0.89 ITGAV (0.54) EPHX1ITGAVITGB6ITGB1ITGA5
SCHEMBL6806430 0.89 ITGAV (0.50) EPHX1ITGAVITGB6ITGB1ITGA5
SCHEMBL6806797 0.89 EPHX2 (0.47) EPHX1ITGAVITGB6ITGB1ITGA5
SCHEMBL6803973 0.87 ITGAV (0.46) EPHX1ITGAVITGB6ITGB1ITGA5
SCHEMBL6806161 0.87 ITGAV (0.46) ITGAVITGB6ITGB1ITGA5ITGB3
SCHEMBL6806187 0.87 ITGAV (0.45) ITGAVITGB6ITGB1ITGA5ITGB3

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 EPHX1 3172/4885ITGAV 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.