SCHEMBL6806203

SCHEMBL6806203

O=C(CCCNC(=O)Nc1ccc(Cl)cc1)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 3/20 0.44
ITGB6 P18564 2/20 0.44
ITGB3 P05106 2/20 0.44
ITGA2B P08514 1/20 0.44
ITGB5 P18084 1/20 0.44
CNR1 P21554 6/20 0.43
UTS2R Q9UKP6 1/20 0.43
SLC6A3 Q01959 2/20 0.41
CASR P41180 2/20 0.41
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40
FOLH1 Q04609 1/20 0.40
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL6811180 0.98 ITGAV (0.47) ITGAVITGB6ITGB3ITGA2BITGB5
SCHEMBL6801129 0.94 ITGAV (0.47) ITGAVITGB6ITGB3ITGA2BITGB5
SCHEMBL6806430 0.92 ITGAV (0.50) ITGAVITGB6ITGB3ITGA2BITGB5
SCHEMBL6806797 0.92 EPHX2 (0.47) ITGAVITGB6ITGB3ITGA2BITGB5
SCHEMBL6806187 0.90 ITGAV (0.45) ITGAVITGB6ITGB3ITGA2BITGB5
SCHEMBL6803973 0.90 ITGAV (0.46) ITGAVITGB6ITGB3ITGA2BITGB5
SCHEMBL6807578 0.89 EPHX1 (0.44) ITGAVITGB6ITGB3ITGA2BITGB5
SCHEMBL6802854 0.89 ITGAV (0.44) ITGAVITGB6ITGB3ITGA2BITGB5
Trifluoroacetic Acid SCHEMBL6806200 0.89 ITGAV (0.52) ITGAVITGB6ITGB3ITGA2BITGB5
SCHEMBL6806161 0.88 ITGAV (0.46) ITGAVITGB6ITGB3ITGA2BITGB5

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.