SCHEMBL6021053

SCHEMBL6021053

CCCCCCOC(=O)NC(C[S+](C)[O-])C(=O)NCC#N

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.51
CTSL P07711 7/20 0.51
CTSK P43235 6/20 0.48
CTSB P07858 5/20 0.45
EPHX1 P07099 1/20 0.40
ACHE P22303 6/20 0.40

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
SCHEMBL6021056 0.82 CTSS (0.51) CTSSCTSLCTSKCTSBEPHX1
SCHEMBL6021270 0.81 CTSS (0.51) CTSSCTSLCTSKCTSB
SCHEMBL6021058 0.81 EPHX1 (0.40) CTSSCTSLCTSKCTSBEPHX1
SCHEMBL6020800 0.80 CTSS (0.49) CTSSCTSLCTSKCTSBEPHX1
SCHEMBL6019976 0.80 CTSS (0.71) CTSSCTSLCTSKCTSB
SCHEMBL6019457 0.78 CTSS (0.65) CTSSCTSLCTSKCTSB
SCHEMBL6021571 0.77 CTSS (0.53) CTSSCTSLCTSKCTSB
SCHEMBL6020265 0.75 CTSS (0.51) CTSSCTSLCTSKCTSB
SCHEMBL6021077 0.74 CTSS (0.74) CTSSCTSLCTSKCTSB
SCHEMBL6019155 0.74 CTSS (0.74) CTSSCTSLCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 CTSS 2720/4885CTSL 2274/4885CTSK 2529/4885

“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.