SCHEMBL6021176

SCHEMBL6021176

CCOC(=O)NC(Cc1csc2ccccc12)C(=O)NC(C)C#N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.59
CTSL P07711 4/20 0.59
CTSS P25774 4/20 0.59
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
TACR1 P25103 2/20 0.44
KLKB1 P03952 3/20 0.43
KLK1 P06870 2/20 0.43
CASP1 P29466 1/20 0.42
CTSB P07858 1/20 0.39
NMBR P28336 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
MAPT P10636 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL6019620 0.91 CTSK (0.58) CTSKCTSLCTSSMMP2MMP9
SCHEMBL6020949 0.91 CTSS (0.60) CTSKCTSLCTSSMMP2MMP9
SCHEMBL6019603 0.91 CTSS (0.62) CTSKCTSLCTSSMMP2MMP9
SCHEMBL6020618 0.89 CTSL (0.54) CTSKCTSLCTSSMMP2MMP9
SCHEMBL6021385 0.87 CTSS (0.77) CTSKCTSLCTSSMMP2MMP9
SCHEMBL6020708 0.87 CTSK (0.54) CTSKCTSLCTSSMMP2MMP9
SCHEMBL6020235 0.87 CTSS (0.77) CTSKCTSLCTSSMMP2MMP9
SCHEMBL6019553 0.86 CTSL (0.53) CTSKCTSLCTSSMMP2MMP9
SCHEMBL6021171 0.84 CTSS (0.65) CTSKCTSLCTSSMMP2MMP9
SCHEMBL6019758 0.84 CTSL (0.56) CTSKCTSLCTSSMMP2MMP9

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 2529/4885CTSL 2274/4885CTSS 2720/4885

“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.