SCHEMBL6019807

SCHEMBL6019807

CCOC(=O)NC(CSC)C(=O)N(C#N)CC

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSS P25774 8/20 0.34
CTSK P43235 8/20 0.34
CTSL P07711 6/20 0.34
CTSB P07858 6/20 0.34
HTT P42858 3/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.31

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
SCHEMBL6020294 0.89 CTSS (0.34) CTSSCTSKCTSLCTSB
SCHEMBL6020453 0.88 CTSS (0.34) CTSSCTSKCTSLCTSB
SCHEMBL6021408 0.88 SMN1; SMN2 (0.39) CTSSCTSKCTSLCTSBHTT
SCHEMBL6019181 0.87 EPHX1 (0.35) CTSSCTSKCTSLCTSBALDH1A1
SCHEMBL6020038 0.86 CTSS (0.37) CTSSCTSKCTSLCTSBHTT
SCHEMBL6021379 0.84 EPHX1 (0.42)
SCHEMBL6019408 0.84 KDM4E (0.33) CTSSCTSKALDH1A1
SCHEMBL6021166 0.83 CTSL (0.32) CTSSCTSKCTSLCTSB
SCHEMBL6019681 0.83 CTSS (0.50) CTSSCTSKCTSLCTSBHTT
SCHEMBL6019363 0.82 TGFBR1 (0.40)

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 6 patents. 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 claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP 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 MEN1 4215/4885GAA 3708/4885KMT2A 1324/4885

“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.