SCHEMBL6806722

SCHEMBL6806722

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
ITGAV P06756 5/20 0.41
ITGB6 P18564 4/20 0.41
ITGB3 P05106 4/20 0.41
ITGB5 P18084 3/20 0.41
ITGA2B P08514 2/20 0.41
F7 P08709 4/20 0.41
F2 P00734 3/20 0.41
F10 P00742 1/20 0.41
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40
CASR P41180 3/20 0.38
UTS2R Q9UKP6 1/20 0.37
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 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
SCHEMBL6807578 0.96 EPHX1 (0.44) EPHX1ITGAVITGB6ITGB3ITGB5
SCHEMBL6811732 0.95 EPHX1 (0.47) EPHX1ITGAVITGB6ITGB3ITGB5
SCHEMBL6806187 0.91 ITGAV (0.45) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL6804038 0.89 CASR (0.46) ITGAVITGB6ITGB3ITGB5ITGA2B
Trifluoroacetic Acid SCHEMBL6806721 0.88 ITGAV (0.50) EPHX1ITGAVITGB6ITGB3ITGB5
SCHEMBL6805508 0.88 CASR (0.48) ITGAVITGB6ITGB3ITGB5ITGA2B
SCHEMBL6801129 0.87 ITGAV (0.47) EPHX1ITGAVITGB6ITGB3ITGB5
SCHEMBL6802152 0.86 ITGB3 (0.53) EPHX1ITGAVITGB6ITGB3ITGB5
SCHEMBL6806430 0.86 ITGAV (0.50) EPHX1ITGAVITGB6ITGB3ITGB5
SCHEMBL6806203 0.85 ITGAV (0.44) 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 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.