SCHEMBL647489

SCHEMBL647489

CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@@H](C#C[Si](C)(C)C)CC[C@@]1(C)C(=O)O)C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
AAK1 Q2M2I8 4/20 0.34
CTSL P07711 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL3596637 0.80 AAK1 (0.36) CTSSCTSKAAK1CTSLHDAC4
SCHEMBL5629890 0.80 AAK1 (0.36) CTSSCTSKAAK1CTSLHDAC4
SCHEMBL5629894 0.80 AAK1 (0.36) CTSSCTSKAAK1CTSLHDAC4
SCHEMBL647488 0.75 AAK1 (0.37) CTSSCTSKAAK1CTSLHDAC4
SCHEMBL649703 0.74 AAK1 (0.36) CTSSCTSKAAK1CTSLHDAC4
SCHEMBL6203221 0.74 AAK1 (0.36) CTSSCTSKAAK1CTSLHDAC4
SCHEMBL6203226 0.74 AAK1 (0.36) CTSSCTSKAAK1CTSLHDAC4
SCHEMBL464205 0.68 AAK1 (0.47) CTSSCTSKAAK1CTSLHDAC4
SCHEMBL6820204 0.68 AAK1 (0.47) CTSSCTSKAAK1CTSLHDAC4
SCHEMBL3372810 0.68 AAK1 (0.47) CTSSCTSKAAK1CTSLHDAC4

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 CTSS 821/4885CTSK 808/4885AAK1 2086/4885
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CTSS 870/4885CTSK 832/4885AAK1 2104/4885

“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.