SCHEMBL7071687

SCHEMBL7071687

CCOC(=O)CC1CCc2ccc(OCCNC(=O)OC(C)(C)C)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 14)

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 0.44
FFAR1 O14842 1/20 0.41
KDM4E B2RXH2 2/20 0.39
BRD4 O60885 1/20 0.39
POLB P06746 1/20 0.39
NQO2 P16083 2/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
PPARD Q03181 2/20 0.38
ADRB3 P13945 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
SCHEMBL7076188 0.97 CA12 (0.48) CA12CA1CA2CA9PDK2
SCHEMBL7073139 0.96 CA12 (0.47) CA12CA1CA2CA9PDK2
SCHEMBL7073295 0.94 CA12 (0.45) CA12CA1CA2CA9PDK2
SCHEMBL7075576 0.94 CA12 (0.48) CA12CA1CA2CA9PDK2
SCHEMBL7073944 0.94 CA12 (0.48) CA12CA1CA2CA9PDK2
SCHEMBL7075211 0.92 CA12 (0.46) CA12CA1CA2CA9PDK2
SCHEMBL7075078 0.91 CA12 (0.48) CA12CA1CA2CA9PDK2
SCHEMBL7071247 0.91 CA12 (0.45) CA12CA1CA2CA9PDK2
SCHEMBL7072137 0.89 CA12 (0.47) CA12CA1CA2CA9PDK2
SCHEMBL7075787 0.88 CA12 (0.46) CA12CA1CA2CA9PDK2

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.