SCHEMBL7071684

SCHEMBL7071684

COC(=O)CC1Cc2ccc(OCCCCNC(=O)OC(C)(C)C)cc2NC1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
PDK2 Q15119 1/20 0.42
CACNA1G O43497 2/20 0.41
SUCNR1 Q9BXA5 3/20 0.39
BRD4 O60885 1/20 0.39
DRD2 P14416 4/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
ADAM17 P78536 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL7072116 0.97 CA12 (0.46) CA12CA1CA2CA9PDK2
SCHEMBL7072150 0.94 PDK2 (0.47) CA12CA1CA2CA9PDK2
SCHEMBL7073260 0.87 GAA (0.43) CACNA1GHDAC2HDAC8HDAC6
SCHEMBL7078644 0.85 GAA (0.43) CACNA1GHDAC2HDAC8HDAC6
SCHEMBL7075422 0.83 CACNA1G (0.38) CA12CA1CA2CA9CACNA1G
SCHEMBL7073177 0.83 DGAT1 (0.41) CACNA1GHDAC2HDAC8HDAC6
Trifluoroacetic Acid SCHEMBL7073057 0.83 DRD2 (0.36) PDK2DRD2
SCHEMBL7079699 0.82 DDB1 (0.38) CA12CA1CA2CA9CACNA1G
SCHEMBL7072126 0.82 CA12 (0.46) CA12CA1CA2CA9PDK2
SCHEMBL7079103 0.81 HTT (0.40) DRD2

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-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin WYETH (US) 2003-06-12 US disclosed
US-6429214-B1 INHIBITORS OF BONE RESORPTION WYETH 2002-08-06 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-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin ITGAV, ITGB2, ITGB3 CA12 4002/4885CA1 2574/4885CA2 3061/4885

“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.