SCHEMBL7078835

SCHEMBL7078835

CCN1C(=O)C(CC(=O)OC(=O)C(F)(F)F)Cc2ccc(OCCCCNC(=N)N)cc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.37
ITGAV P06756 5/20 0.37
ITGA2B P08514 4/20 0.37
NQO2 P16083 3/20 0.33
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
HDAC8 Q9BY41 2/20 0.33
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
XIAP P98170 2/20 0.32
PDK2 Q15119 1/20 0.31
RECQL P46063 1/20 0.31
F10 P00742 1/20 0.30

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
SCHEMBL7071334 0.98 ITGB3 (0.37) ITGB3ITGAVITGA2BNQO2MTNR1A
SCHEMBL7071310 0.96 ITGB3 (0.36) ITGB3ITGAVITGA2BNQO2MTNR1A
Trifluoroacetic Acid SCHEMBL7078830 0.89 ITGB3 (0.44) ITGB3ITGAVITGA2BXIAPF10
Trifluoroacetic Acid SCHEMBL7071328 0.87 ITGB3 (0.45) ITGB3ITGAVITGA2BF10
Trifluoroacetic Acid SCHEMBL7071305 0.85 ITGB3 (0.43) ITGB3ITGAVITGA2BNQO2MTNR1A
SCHEMBL7078547 0.81 DRD2 (0.35) ITGB3ITGAVITGA2BMTNR1AMTNR1B
SCHEMBL7078812 0.80 ITGB3 (0.34) ITGB3ITGAVITGA2BMTNR1AMTNR1B
SCHEMBL7076563 0.79 XIAP (0.46) ITGB3ITGAVITGA2BXIAP
SCHEMBL7073213 0.78 XIAP (0.45) ITGB3ITGAVITGA2BXIAP
SCHEMBL7075830 0.77 XIAP (0.46) ITGB3ITGAVITGA2BXIAP

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 ITGB3 3/4885ITGAV 1/4885ITGA2B 7/4885

“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.