SCHEMBL2118680

SCHEMBL2118680

CCCCC(NC(=O)OCc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.77
CTSS P25774 2/20 0.77
SIRT2 Q8IXJ6 14/20 0.59
SIRT1 Q96EB6 11/20 0.59
SIRT3 Q9NTG7 7/20 0.59
CTSK P43235 2/20 0.56
TLR2 O60603 1/20 0.56
CTSB P07858 1/20 0.56

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
SCHEMBL8767026 0.88 CTSL (0.77) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL17889672 0.87 SIRT5 (0.64) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL9516479 0.87 SIRT2 (0.62) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL17889673 0.87 SIRT5 (0.64) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL11737428 0.87 CTSL (0.76) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL8766104 0.87 CTSL (0.76) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL5934886 0.87 CTSS (0.69) CTSLCTSSCTSKCTSB
SCHEMBL13884485 0.86 CTSS (0.58) CTSLCTSSCTSKCTSB
SCHEMBL1122463 0.86 CTSS (0.58) CTSLCTSSCTSKCTSB
SCHEMBL14433709 0.86 CTSS (0.58) CTSLCTSSCTSKCTSB

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 CTSL 924/4885CTSS 2394/4885SIRT2 1544/4885

“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.