SCHEMBL7075422

SCHEMBL7075422

COC(=O)CC1Cc2ccc(C#CCCCCNC(=O)OC(C)(C)C)cc2NC1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 3/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
ADORA3 P0DMS8 7/20 0.37
GBA1 P04062 1/20 0.37
DRD2 P14416 2/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MMP1 P03956 1/20 0.35
MMP13 P45452 1/20 0.35
ADAM17 P78536 1/20 0.35
PTPN11 Q06124 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
SCHEMBL7079699 0.97 DDB1 (0.38) CACNA1GDDB1CRBNADORA3GBA1
SCHEMBL7076387 0.94 GBA1 (0.41) CACNA1GDDB1CRBNGBA1DRD2
SCHEMBL7071200 0.87 HDAC3 (0.33) HDAC2HDAC8HDAC6
SCHEMBL7076950 0.85 HDAC3 (0.35) CACNA1GHDAC2HDAC8HDAC6
SCHEMBL7075285 0.84 HDAC3 (0.33) HDAC2HDAC8HDAC6
SCHEMBL7079688 0.84 HTT (0.36) HDAC2HDAC8HDAC6
SCHEMBL7073260 0.83 GAA (0.43) CACNA1GHDAC2HDAC8HDAC6
SCHEMBL7071684 0.83 CA12 (0.47) CACNA1GDRD2CA12CA1CA2
SCHEMBL7076970 0.83 GABRP (0.33) DDB1CRBNHDAC2HDAC8HDAC6
SCHEMBL7072116 0.82 CA12 (0.46) CACNA1GDRD2CA12CA1CA2

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 4 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
EP-1198231-A1 BICYCLIC ANTAGONISTS SELECTIVE FOR THE(ALPHA)V(BETA)3 INTEGRIN AMERICAN HOME PRODUCTS CORPORATION (US) 2002-04-24 EP disclosed
WO-2001007036-A1 BICYCLIC ANTAGONISTS SELECTIVE FOR THE αvβ3 INTEGRIN AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-01 WO 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 CACNA1G 117/4885DDB1 3319/4885CRBN 3154/4885

“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.