SCHEMBL6386162

SCHEMBL6386162

CC(C)(C)OC(=O)N[C@@H](CCCCN)C(=O)N1CC(F)(F)C(F)(F)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.55
ITGA2B P08514 11/20 0.55
HDAC1 Q13547 3/20 0.40
HDAC4 P56524 2/20 0.40
CTSK P43235 2/20 0.40
HDAC6 Q9UBN7 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TGM2 P21980 1/20 0.39
CTSS P25774 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL6386168 1.00 ITGB3 (0.55) ITGB3ITGA2BHDAC1HDAC4CTSK
SCHEMBL6390296 0.93 ITGB3 (0.55) ITGB3ITGA2BHDAC1HDAC4CTSK
SCHEMBL6392307 0.93 ITGB3 (0.55) ITGB3ITGA2BHDAC1HDAC4CTSK
SCHEMBL6389169 0.86 ITGB3 (0.54) ITGB3ITGA2BHDAC1HDAC4CTSK
SCHEMBL4906241 0.86 ITGB3 (0.54) ITGB3ITGA2BHDAC1HDAC4CTSK
SCHEMBL6384973 0.84 ITGB3 (0.58) ITGB3ITGA2BHDAC1HDAC4CTSK
SCHEMBL6384976 0.84 ITGB3 (0.58) ITGB3ITGA2BHDAC1HDAC4CTSK
SCHEMBL7964692 0.84 ITGB3 (0.66) ITGB3ITGA2BHDAC1HDAC4CTSK
SCHEMBL6768135 0.84 ITGB3 (0.66) ITGB3ITGA2BHDAC1HDAC4CTSK
SCHEMBL6386611 0.83 ITGB3 (0.42) ITGB3ITGA2BHDAC1HDAC4CTSK

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
WO-2005019168-A2 FLUORINATED LYSINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS PFIZER PRODUCTS INC. (US) 2005-03-03 WO disclosed
US-20050043292-A1 Fluorinated lysine derivatives as dipeptidyl peptidase IV inhibitors PFIZER INC 2005-02-24 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-20050043292-A1 Fluorinated lysine derivatives as dipeptidyl peptidase IV inhibitors DPP4, DPP7, ALPI ITGB3 335/4885ITGA2B 660/4885HDAC1 234/4885

“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.