SCHEMBL4909415

SCHEMBL4909415

CCC(C)CNCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(F)(F)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.43
ITGA2B P08514 11/20 0.43
TGM2 P21980 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC4 P56524 1/20 0.38
CTSK P43235 1/20 0.38
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 0.34

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
SCHEMBL4906241 0.83 ITGB3 (0.54) ITGB3ITGA2BTGM2HDAC1HDAC8
SCHEMBL6389169 0.83 ITGB3 (0.54) ITGB3ITGA2BTGM2HDAC1HDAC8
SCHEMBL4911413 0.82 ITGB3 (0.50) ITGB3ITGA2BTGM2HDAC1HDAC8
SCHEMBL6809191 0.79 ITGB3 (0.46) ITGB3ITGA2BHDAC1HDAC8TSHR
SCHEMBL6809187 0.79 ITGB3 (0.46) ITGB3ITGA2BHDAC1HDAC8TSHR
SCHEMBL8361164 0.79 DPP7 (0.40)
SCHEMBL24485007 0.78 HRH2 (0.43) ITGB3ITGA2BHDAC8CTSKTSHR
SCHEMBL6809194 0.78 TSHR (0.41) ITGB3ITGA2BCTSKTSHRKMT2A
Hydrochloric Acid SCHEMBL4910467 0.78 DPP7 (0.39)
SCHEMBL6392307 0.74 ITGB3 (0.55) ITGB3ITGA2BTGM2HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255126-A1 Inhibitors of post-proline cleaving proteases FERRING B.V. 2008-10-16 US disclosed
US-7335677-B2 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2008-02-26 US disclosed
US-20050043299-A1 Inhibitors of dipeptidyl peptidase iv FERRING B. V. 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 (2 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-20050043299-A1 Inhibitors of dipeptidyl peptidase iv DPP4, DPP9, DPP3 ITGB3 4014/4885ITGA2B 3782/4885TGM2 293/4885
US-20080255126-A1 Inhibitors of post-proline cleaving proteases PREP, PEPD, DPP4 ITGB3 4250/4885ITGA2B 4214/4885TGM2 440/4885

“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.