SCHEMBL6802854

SCHEMBL6802854

O=C(CCCNC(=O)Nc1ccccc1Cl)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
ITGAV P06756 5/20 0.44
ITGB6 P18564 4/20 0.44
ITGB3 P05106 4/20 0.44
ITGB5 P18084 3/20 0.44
ITGA2B P08514 2/20 0.44
CASR P41180 1/20 0.41
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CTSA P10619 1/20 0.35
HDAC1 Q13547 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
THRB P10828 1/20 0.33
SLC6A9 P48067 1/20 0.33

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
SCHEMBL6802946 0.98 ITGAV (0.47) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL6801129 0.89 ITGAV (0.47) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL6806510 0.89 ITGAV (0.43) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL6806203 0.89 ITGAV (0.44) ITGAVITGB6ITGB3ITGB5ITGA2B
Trifluoroacetic Acid SCHEMBL6545570 0.89 ITGAV (0.52) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL6805897 0.88 ITGAV (0.43) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL6806430 0.87 ITGAV (0.50) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL6806797 0.87 EPHX2 (0.47) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL6806445 0.87 ITGAV (0.46) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL6805888 0.87 ITGAV (0.46) 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.