SCHEMBL6809187

SCHEMBL6809187

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.46
ITGA2B P08514 11/20 0.46
TSHR P16473 1/20 0.43
CCKBR P32239 1/20 0.39
KMT2A Q03164 1/20 0.38
CTSL P07711 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
MAPK1 P28482 1/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 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
SCHEMBL6809191 1.00 ITGB3 (0.46) ITGB3ITGA2BTSHRCCKBRKMT2A
SCHEMBL6809194 0.90 TSHR (0.41) ITGB3ITGA2BTSHRKMT2ACTSL
SCHEMBL24485007 0.86 HRH2 (0.43) ITGB3ITGA2BTSHRKMT2ACTSL
SCHEMBL4911413 0.85 ITGB3 (0.50) ITGB3ITGA2BTSHRCTSLHDAC1
SCHEMBL6389169 0.84 ITGB3 (0.54) ITGB3ITGA2BTSHRHDAC1HDAC8
SCHEMBL4906241 0.84 ITGB3 (0.54) ITGB3ITGA2BTSHRHDAC1HDAC8
SCHEMBL23326163 0.80 ITGB3 (0.48) ITGB3ITGA2BTSHRKMT2AHRH2
SCHEMBL23326162 0.80 ITGB3 (0.48) ITGB3ITGA2BTSHRKMT2AHRH2
SCHEMBL4909415 0.79 ITGB3 (0.43) ITGB3ITGA2BTSHRKMT2AHDAC1
SCHEMBL9277918 0.78 DPP4 (0.39) TSHRCTSLHDAC8HRH2HRH1

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 ITGB3 3366/4885ITGA2B 4014/4885TSHR 2627/4885

“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.