SCHEMBL647488

SCHEMBL647488

COC(=O)[C@@H]1CC[C@H](C#C[Si](C)(C)C)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.37
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KLK5 Q9Y337 1/20 0.33
DPP4 P27487 1/20 0.33
CTSK P43235 3/20 0.32
CTSS P25774 1/20 0.32
CTSL P07711 3/20 0.32
CTSB P07858 1/20 0.31
GAA P10253 1/20 0.31
EPHX1 P07099 1/20 0.30
REN P00797 1/20 0.30

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
SCHEMBL649703 0.99 AAK1 (0.36) AAK1HDAC4HDAC1HDAC6KLK5
SCHEMBL6203226 0.99 AAK1 (0.36) AAK1HDAC4HDAC1HDAC6KLK5
SCHEMBL6203221 0.99 AAK1 (0.36) AAK1HDAC4HDAC1HDAC6KLK5
SCHEMBL5629894 0.91 AAK1 (0.36) AAK1HDAC4HDAC1HDAC6DPP4
SCHEMBL5629890 0.91 AAK1 (0.36) AAK1HDAC4HDAC1HDAC6DPP4
SCHEMBL3596637 0.91 AAK1 (0.36) AAK1HDAC4HDAC1HDAC6DPP4
SCHEMBL648952 0.83 ALDH1A1 (0.42) HDAC1CTSKCTSSCTSLCTSB
SCHEMBL27611164 0.83 ALDH1A1 (0.42) HDAC1CTSKCTSSCTSLCTSB
SCHEMBL25867038 0.80 CHRM2 (0.38) EPHX1
SCHEMBL648653 0.75 DPP4 (0.39) AAK1HDAC4HDAC1HDAC6DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119664-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) MADAR DAVID J 2007-10-11 US disclosed
US-7262207-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-08-28 US disclosed
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2004-12-23 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-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 AAK1 2086/4885HDAC4 414/4885HDAC1 813/4885
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 AAK1 2104/4885HDAC4 419/4885HDAC1 819/4885

“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.