SCHEMBL5338029

SCHEMBL5338029

CC1(C)C2CC[C@@]1(CS(=O)(=O)N[C@@H](Cc1ccc(-c3cccc(N)c3)cc1)C(=O)O)C(=O)C2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.72
ITGAV P06756 5/20 0.72
F10 P00742 1/20 0.55
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA1 P00915 8/20 0.49
CA2 P00918 8/20 0.49
CA5A P35218 8/20 0.49
CA5B Q9Y2D0 8/20 0.49
ITGA2B P08514 1/20 0.47
PLG P00747 2/20 0.46
F12 P00748 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
KLKB1 P03952 1/20 0.46
PROC P04070 1/20 0.46

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
SCHEMBL14501722 1.00 ITGB3 (0.72) ITGB3ITGAVF10MMP1MMP2
SCHEMBL5338023 1.00 ITGB3 (0.72) ITGB3ITGAVF10MMP1MMP2
SCHEMBL5878680 0.87 ITGB3 (0.84) ITGB3ITGAVF10MMP1MMP2
SCHEMBL27522238 0.86 ITGB3 (0.66) ITGB3ITGAVF10MMP1MMP2
SCHEMBL5878950 0.86 ITGB3 (0.83) ITGB3ITGAVF10MMP1MMP2
SCHEMBL5878954 0.86 ITGB3 (0.83) ITGB3ITGAVF10MMP1MMP2
SCHEMBL5878937 0.86 ITGB3 (0.90) ITGB3ITGAVF10MMP1MMP2
SCHEMBL5878648 0.85 ITGB3 (0.81) ITGB3ITGAVF10MMP1MMP2
SCHEMBL5878645 0.85 ITGB3 (0.81) ITGB3ITGAVF10MMP1MMP2
SCHEMBL5878847 0.84 ITGB3 (0.84) ITGB3ITGAVF10MMP1MMP2

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-7220824-B1 Integrin-mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
US-20060189544-A1 Integrin-Mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2006-08-24 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-20060189544-A1 Integrin-Mediated drug targeting ITGAV, ITGB3, ITGB1 ITGB3 2/4885ITGAV 1/4885F10 1339/4885

“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.