SCHEMBL7079693

SCHEMBL7079693

COC(=O)CC1Cc2ccc(OS(=O)(=O)C(F)(F)F)cc2NC1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.42
DRD3 P35462 8/20 0.42
HTR1D P28221 1/20 0.42
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HSD11B1 P28845 1/20 0.36
BACE1 P56817 1/20 0.36
CHRM1 P11229 3/20 0.35
DRD4 P21917 2/20 0.35
CXCR2 P25025 1/20 0.34
EPHX2 P34913 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA2B P08514 1/20 0.34

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
SCHEMBL7072903 0.85 USP2 (0.41) USP2GAAHTTHSD17B10
Trifluoroacetic Acid SCHEMBL7075230 0.83 AOC3 (0.36) DRD2DRD3HTTHSD17B10DRD4
Trifluoroacetic Acid SCHEMBL7075914 0.82 CA12 (0.39) DRD2DRD3DRD4ITGB3ITGAV
Trifluoroacetic Acid SCHEMBL7071672 0.81 CA12 (0.42) DRD2DRD3DRD4ITGB3ITGAV
SCHEMBL7079103 0.81 HTT (0.40) DRD2DRD3USP2GAAHTT
SCHEMBL7078712 0.80 POLB (0.42) USP2GAAHTTHSD17B10
SCHEMBL7073390 0.79 GAA (0.42) USP2GAAHTTHSD17B10
Trifluoroacetic Acid SCHEMBL7076491 0.79 ITGB3 (0.35) DRD2ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7075140 0.79 ITGB3 (0.36) DRD2DRD3DRD4ITGB3ITGAV
Trifluoroacetic Acid SCHEMBL7073057 0.77 DRD2 (0.36) DRD2DRD3DRD4ITGB3ITGAV

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 DRD2 283/4885DRD3 173/4885HTR1D 504/4885

“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.