SCHEMBL2118971

SCHEMBL2118971

CCCCC(NC(=O)OC(C)(C)C)C(=O)NCC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.74
CTSS P25774 7/20 0.74
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CAPN1 P07384 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL10605035 1.00 CTSK (0.74) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL10774431 0.92 CTSK (0.72) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL19955305 0.92 CTSK (0.72) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL4764611 0.87 CTSK (0.75) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL4774352 0.87 CTSK (0.75) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL25869316 0.87 CTSK (0.58) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL30312609 0.86 CTSS (0.56) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL13702232 0.86 CTSS (0.56) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL27152033 0.86 ITGB3 (0.59) CTSKCTSSCTSLCTSBITGB3
SCHEMBL27152032 0.86 ITGB3 (0.59) CTSKCTSSCTSLCTSBITGB3

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-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
WO-2010123832-A2 2-OXAMIDE INHIBITORS OF PHOSPHOLIPASE A2 ACTIVITY AND CELLULAR ARACHIDONATE RELEASE BASED ON DIPEPTIDES AND PSEUDOPEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-28 WO 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 2394/4885CTSL 924/4885

“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.