SCHEMBL6020702

SCHEMBL6020702

C=CCCOC(=O)NC(Cc1csc2ccccc12)C(=O)NCCC#N

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.57
CTSK P43235 4/20 0.57
CTSL P07711 3/20 0.57
NMBR P28336 10/20 0.42
TACR1 P25103 2/20 0.40
CTSB P07858 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
CASP1 P29466 1/20 0.38
KLKB1 P03952 2/20 0.37
KLK1 P06870 1/20 0.37
MC4R P32245 1/20 0.37

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
SCHEMBL6021320 0.91 CTSS (0.69) CTSSCTSKCTSLNMBRTACR1
SCHEMBL6020946 0.87 CTSS (0.63) CTSSCTSKCTSLNMBRTACR1
SCHEMBL6019616 0.86 CTSS (0.62) CTSSCTSKCTSLNMBRTACR1
SCHEMBL6021171 0.86 CTSS (0.65) CTSSCTSKCTSLNMBRTACR1
SCHEMBL6020613 0.85 CTSS (0.59) CTSSCTSKCTSLNMBRTACR1
SCHEMBL6019601 0.85 CTSS (0.68) CTSSCTSKCTSLNMBRTACR1
SCHEMBL6020708 0.85 CTSK (0.54) CTSSCTSKCTSLNMBRTACR1
SCHEMBL6020070 0.83 CTSS (0.62) CTSSCTSKCTSLTACR1MMP2
SCHEMBL6019142 0.82 NMBR (0.65) CTSSCTSKCTSLNMBRTACR1
SCHEMBL6019242 0.82 CTSS (0.58) CTSSCTSKCTSLTACR1CTSB

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-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
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 CTSS 2720/4885CTSK 2529/4885CTSL 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.