SCHEMBL6804038

SCHEMBL6804038

COc1ccc(NC(=O)NCCC(=O)NCC(=O)NC(CC(=O)OC(=O)C(F)(F)F)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.46
POLB P06746 2/20 0.44
CTDSP1 Q9GZU7 2/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
F7 P08709 3/20 0.42
F2 P00734 2/20 0.42
F10 P00742 1/20 0.42
CYP3A4 P08684 2/20 0.41
ITGB3 P05106 2/20 0.41
ITGAV P06756 2/20 0.41
ITGA2B P08514 1/20 0.41
ITGB5 P18084 1/20 0.41
ITGB6 P18564 1/20 0.41
FPR2 P25090 2/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CRHBP P24387 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
SCHEMBL6806161 0.95 ITGAV (0.46) CASRPOLBCTDSP1KMT2AMEN1
SCHEMBL6806187 0.93 ITGAV (0.45) CASRF7F2F10ITGB3
SCHEMBL6805508 0.91 CASR (0.48) CASRKMT2AMEN1F7F2
Trifluoroacetic Acid SCHEMBL6804033 0.89 ITGB3 (0.48) CASRPOLBCTDSP1KMT2AMEN1
SCHEMBL6806722 0.89 EPHX1 (0.41) CASRF7F2F10ITGB3
SCHEMBL6801129 0.88 ITGAV (0.47) CASRF7F2ITGB3ITGAV
SCHEMBL6806430 0.88 ITGAV (0.50) CASRITGB3ITGAVITGA2BITGB5
SCHEMBL6545220 0.87 CASR (0.53) CASRPOLBCTDSP1KMT2AMEN1
SCHEMBL6806861 0.87 KMT2A (0.47) CASRKMT2AF7F2ITGB3
SCHEMBL6806865 0.87 PKM (0.42) KMT2AMEN1ITGB3ITGAVITGA2B

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 CASR 954/4885POLB 3435/4885CTDSP1 3443/4885

“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.