SCHEMBL646732

SCHEMBL646732

CCC(=O)CC[C@](CC)(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.35
CTSS P25774 5/20 0.35
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
CA1 P00915 2/20 0.32
CA7 P43166 2/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA2 P00918 1/20 0.30
AKT1 P31749 2/20 0.30
NAALAD2 Q9Y3Q0 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 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
SCHEMBL2463123 0.86 CTSK (0.35) CTSKCTSSKMT2AMEN1GAA
SCHEMBL88462 0.84 CTSK (0.41) CTSKCTSSKMT2AMEN1GAA
SCHEMBL5147739 0.79 CTSK (0.39) CTSKCTSSKMT2AMEN1GAA
SCHEMBL1200142 0.79 CA1 (0.35) CTSKCTSSKMT2AMEN1GAA
SCHEMBL7864105 0.79 CTSS (0.38) CTSKCTSSKMT2AMEN1GAA
SCHEMBL5147615 0.78 AKT1 (0.38) CTSKCTSSKMT2AMEN1GAA
SCHEMBL5408412 0.77 CTSK (0.41) CTSKCTSSKMT2AMEN1GAA
SCHEMBL3619600 0.75 CTSK (0.39) CTSKCTSSKMT2AMEN1GAA
SCHEMBL2585429 0.75 CTSS (0.33) CTSKCTSSAKT1
SCHEMBL2575528 0.75 ALDH1A1 (0.47) KMT2AMEN1GAAALDH1A1

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 CTSK 808/4885CTSS 821/4885KMT2A 3383/4885
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CTSK 832/4885CTSS 870/4885KMT2A 3404/4885

“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.