SCHEMBL6019218

SCHEMBL6019218

CN(C#N)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.50
CTSS P25774 4/20 0.50
CTSL P07711 3/20 0.50
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
CTSK P43235 3/20 0.46
PTPN1 P18031 4/20 0.44

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
SCHEMBL6020866 0.90 CTSB (0.49) CTSBCTSSCTSLMMP9MMP8
SCHEMBL6019560 0.89 CTSL (0.56) CTSBCTSSCTSLCTSK
SCHEMBL6020822 0.88 CTSL (0.57) CTSBCTSSCTSLCTSK
SCHEMBL13323301 0.87 MMP9 (0.48) CTSBCTSSCTSLMMP9MMP8
SCHEMBL15697341 0.85 CTSB (0.49) CTSBCTSSCTSLCTSKPTPN1
SCHEMBL6020397 0.85 CTSB (0.57) CTSBCTSSCTSLMMP9MMP8
SCHEMBL6019213 0.84 CTSS (0.71) CTSBCTSSCTSLCTSKPTPN1
SCHEMBL6020004 0.84 CTSB (0.58) CTSBCTSSCTSLMMP9MMP8
SCHEMBL6020869 0.84 CTSB (0.55) CTSBCTSSCTSLMMP9MMP8
SCHEMBL799706 0.83 MDM4 (0.52) CTSBCTSSCTSLPTPN1

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 CTSB 2514/4885CTSS 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.