SCHEMBL6020106

SCHEMBL6020106

CCCCCCOC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C)C#N

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.47
CTSS P25774 6/20 0.47
CTSL P07711 8/20 0.45
CTSB P07858 2/20 0.45
TACR1 P25103 1/20 0.43
CHRND Q07001 6/20 0.43
CHRNA1 P02708 2/20 0.43
CHRNG P07510 2/20 0.43
CHRNB1 P11230 2/20 0.43
GRIA1 P42261 1/20 0.43
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41

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
SCHEMBL6020183 0.96 CTSK (0.49) CTSKCTSSCTSLCTSBTACR1
SCHEMBL6020040 0.91 CTSL (0.54) CTSKCTSSCTSLCTSBTACR1
SCHEMBL6021344 0.87 CTSK (0.53) CTSKCTSSCTSLCTSBTACR1
SCHEMBL6019457 0.86 CTSS (0.65) CTSKCTSSCTSLCTSB
SCHEMBL6021250 0.86 CTSL (0.56) CTSKCTSSCTSLCTSBTACR1
SCHEMBL6020712 0.85 CTSL (0.56) CTSKCTSSCTSLCTSBTACR1
SCHEMBL6020099 0.84 CTSS (0.53) CTSKCTSSCTSLCTSBCHRND
SCHEMBL6021252 0.84 CTSS (0.55) CTSKCTSSCTSLCTSBTACR1
SCHEMBL6020008 0.84 CTSK (0.52) CTSKCTSSCTSLCTSBTACR1
SCHEMBL6020563 0.83 CTSK (0.47) CTSKCTSSCTSLCTSBTACR1

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 CTSK 2529/4885CTSS 2720/4885CTSL 2274/4885

“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.