SCHEMBL6810263

SCHEMBL6810263

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)c1nc2ccccc2nc1O)C(=O)N1CCC(F)(F)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.46
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
TDP1 Q9NUW8 1/20 0.40
P2RY12 Q9H244 4/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CXCR3 P49682 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL6809258 0.87 TGM2 (0.46) TGM2ITGB3ITGA2BTDP1P2RY12
Hydrochloric Acid SCHEMBL6809256 0.81 DPP7 (0.38) TGM2
SCHEMBL4911293 0.77 TLR2 (0.52) TGM2ITGB3ITGA2BHDAC1HDAC8
SCHEMBL6389169 0.75 ITGB3 (0.54) TGM2ITGB3ITGA2BHDAC1HDAC8
SCHEMBL4906241 0.75 ITGB3 (0.54) TGM2ITGB3ITGA2BHDAC1HDAC8
SCHEMBL4911413 0.74 ITGB3 (0.50) TGM2ITGB3ITGA2BHDAC1HDAC8
SCHEMBL4909415 0.73 ITGB3 (0.43) TGM2ITGB3ITGA2BHDAC1HDAC8
SCHEMBL6809984 0.73 ITGB3 (0.47) TGM2ITGB3ITGA2BTDP1P2RY12
SCHEMBL1754974 0.71 BCHE (0.54) MEN1KMT2A
SCHEMBL5350152 0.71 TGM2 (0.47) TGM2ITGB3ITGA2BTDP1P2RY12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235752-A1 3-fluoro-pyrrolidines as antidiabetic agents FERRING B.V. (NL) 2004-11-25 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-20040235752-A1 3-fluoro-pyrrolidines as antidiabetic agents DPP4, DPP7, DPP3 TGM2 1011/4885ITGB3 3366/4885ITGA2B 4014/4885

“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.