SCHEMBL6763153

SCHEMBL6763153

O=C(CCCNc1nc2ccccc2[nH]1)NCC(=O)NC(CC(=O)OC(=O)C(F)(F)F)c1cccc(-c2cccc(F)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 6/20 0.41
ITGB6 P18564 5/20 0.41
ITGB3 P05106 5/20 0.41
ITGB5 P18084 4/20 0.41
ITGA5 P08648 3/20 0.39
ITGB1 P05556 2/20 0.39
KCNH2 Q12809 2/20 0.38
ITGB8 P26012 1/20 0.38
LMNA P02545 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ITGA2B P08514 3/20 0.36
BCHE P06276 1/20 0.36
ABL1 P00519 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 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
SCHEMBL6763765 0.95 ITGAV (0.43) ITGAVITGB6ITGB3ITGB5ITGA5
Trifluoroacetic Acid SCHEMBL6763147 0.89 ITGAV (0.49) ITGAVITGB6ITGB3ITGB5ITGA5
SCHEMBL6762454 0.86 ITGAV (0.41) ITGAVITGB6ITGB3ITGB5ITGA5
SCHEMBL6767502 0.85 ITGAV (0.42) ITGAVITGB6ITGB3ITGB5ITGA5
Trifluoroacetic Acid SCHEMBL6763757 0.84 ITGAV (0.53) ITGAVITGB6ITGB3ITGB5ITGA5
SCHEMBL6762908 0.83 ITGAV (0.54) ITGAVITGB6ITGB3ITGB5ITGA5
SCHEMBL5845774 0.81 KCNH2 (0.43) ITGAVITGB6ITGB3ITGB5ITGA5
Trifluoroacetic Acid SCHEMBL6764609 0.81 ITGAV (0.49) ITGAVITGB6ITGB3ITGB5ITGA5
SCHEMBL5844920 0.80 BCHE (0.44) ITGAVITGB6ITGB3ITGB5ITGA5
SCHEMBL6760476 0.80 ITGAV (0.48) ITGAVITGB6ITGB3ITGB5ITGA5

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-20040010023-A1 Biphenyl derivatives and the use thereof as integrin inhibitors MERCK PATENT GMBH (DE) 2004-01-15 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-20040010023-A1 Biphenyl derivatives and the use thereof as integrin inhibitors ITGB1, ITGB4, ITGB3 ITGAV 16/4885ITGB6 10/4885ITGB3 3/4885

“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.