SCHEMBL2604479

SCHEMBL2604479

CCC[C@H](C)CNCC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.38
CTSS P25774 1/20 0.38
TSHR P16473 1/20 0.36
CYP2D6 P10635 1/20 0.36
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PTPRC P08575 2/20 0.33
CA7 P43166 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 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
SCHEMBL4335839 0.83 CYP2D6 (0.37) CTSKCYP2D6CA1CA2CA12
SCHEMBL4343020 0.83 CYP2D6 (0.37) CTSKCYP2D6CA1CA2CA12
SCHEMBL5189416 0.80 CYP2D6 (0.40) CTSKCTSSCYP2D6CA1CA2
SCHEMBL30485492 0.79 CYP2D6 (0.39) CTSKCYP2D6CA1CA2CA12
SCHEMBL26924263 0.79 CYP2D6 (0.42) CTSKCYP2D6CA1CA2CA12
SCHEMBL26924266 0.79 CYP2D6 (0.42) CTSKCYP2D6CA1CA2CA12
SCHEMBL23551450 0.77 CYP2D6 (0.38) CTSKCYP2D6CA1CA2CA12
SCHEMBL21209086 0.76 MEN1 (0.47) CTSKCTSSCA1CA2CA12
SCHEMBL1434048 0.76 CTSK (0.40) CTSKCTSSCYP2D6CA1CA2
SCHEMBL6239277 0.76 CYP2D6 (0.37) CTSKCTSSCYP2D6CA2CA12

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
US-8580852-B2 2-oxamide inhibitors of phospholipase A2 activity and cellular arachidonate release based on dipeptides and pseudopeptides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-11-12 US disclosed
US-20120095096-A1 2-OXAMIDE INHIBITORS OF PHOSPHOLIPASE A2 ACTIVITY AND CELLULAR ARACHIDONATE RELEASE BASED ON DIPEPTIDES AND PSEUDOPEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-04-19 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-20120095096-A1 2-OXAMIDE INHIBITORS OF PHOSPHOLIPASE A2 ACTIVITY AND CELLULAR ARACHIDONATE RELEASE BASED ON DIPEPTIDES AND PSEUDOPEPTIDES PLA2G2E, PLA2G4A, PLAA CTSK 2760/4885CTSS 2394/4885TSHR 4671/4885

“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.