SCHEMBL3033691

SCHEMBL3033691

CCCC(=O)NC(C#N)COCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.56
CTSL P07711 10/20 0.56
CTSK P43235 4/20 0.56
CTSB P07858 7/20 0.53
CTSC P53634 2/20 0.48

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
SCHEMBL3028847 0.90 CTSS (0.58) CTSSCTSLCTSKCTSBCTSC
SCHEMBL3033151 0.84 CTSS (0.61) CTSSCTSLCTSKCTSB
SCHEMBL4505588 0.84 CTSS (0.60) CTSSCTSLCTSKCTSB
SCHEMBL3027455 0.82 CTSS (0.68) CTSSCTSLCTSKCTSB
SCHEMBL12432975 0.79 CTSS (0.68) CTSSCTSLCTSKCTSB
SCHEMBL31095613 0.79 CTSS (0.68) CTSSCTSLCTSKCTSB
SCHEMBL3037914 0.77 CTSS (0.63) CTSSCTSLCTSKCTSBCTSC
SCHEMBL75850 0.76 CTSS (0.51) CTSSCTSLCTSKCTSB
SCHEMBL28560982 0.75 CNR2 (0.49) CTSSCTSLCTSKCTSBCTSC
SCHEMBL28555645 0.75 HDAC3 (0.34) CTSSCTSLCTSKCTSBCTSC

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
US-20040267026-A1 Process for preparing 2,4,5-trisubstituted imidazoles from N-acylated alpha-amino nitriles ASKIN DAVID (US) 2004-12-30 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-20040267026-A1 Process for preparing 2,4,5-trisubstituted imidazoles from N-acylated alpha-amino nitriles IL4I1, PYM1, CLIC4 CTSS 3261/4885CTSL 3205/4885CTSK 2941/4885
US-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 CTSS 601/4885CTSL 1209/4885CTSK 1471/4885

“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.