SCHEMBL6763140

SCHEMBL6763140

O=C(O)CC(NC(=O)CNC(=O)CCCNc1nc2ccccc2[nH]1)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 10/20 0.56
ITGB3 P05106 9/20 0.56
ITGB6 P18564 5/20 0.56
ITGB5 P18084 5/20 0.56
ITGA2B P08514 4/20 0.56
KCNH2 Q12809 1/20 0.47
ITGB1 P05556 1/20 0.46
ITGA5 P08648 1/20 0.46
PRKCZ Q05513 1/20 0.43
KDM4E B2RXH2 1/20 0.42
FFAR2 O15552 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSA P10619 2/20 0.40
BCHE P06276 1/20 0.40
TRPC3 Q13507 1/20 0.40
TRPC4 Q9UBN4 1/20 0.40
TRPC5 Q9UL62 1/20 0.40
ITGB8 P26012 1/20 0.40
NPC1 O15118 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL6767494 0.95 ITGAV (0.52) ITGAVITGB3ITGB6ITGB5ITGA2B
Trifluoroacetic Acid SCHEMBL6762450 0.89 ITGAV (0.51) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL6762908 0.88 ITGAV (0.54) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL6760476 0.87 ITGAV (0.48) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL6767502 0.87 ITGAV (0.42) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL7206020 0.85 ITGB3 (0.51) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL5845864 0.85 ITGB3 (0.51) ITGAVITGB3ITGB6ITGB5ITGA2B
Trifluoroacetic Acid SCHEMBL6763757 0.85 ITGAV (0.53) ITGAVITGB3ITGB6ITGB5ITGA2B
Trifluoroacetic Acid SCHEMBL6764609 0.84 ITGAV (0.49) ITGAVITGB3ITGB6ITGB5ITGA2B
SCHEMBL5843698 0.84 ITGB3 (0.49) ITGAVITGB3ITGB6ITGB5ITGA2B

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 2 patents. 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 claimed
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 16/4885ITGB3 3/4885ITGB6 10/4885

“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.