SCHEMBL6019753

SCHEMBL6019753

CCN(C#N)C(=O)C(Cc1csc2ccccc12)NC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.52
CTSS P25774 4/20 0.52
CTSK P43235 4/20 0.52
F10 P00742 2/20 0.48
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
CTSB P07858 3/20 0.40
TACR1 P25103 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
CTSF Q9UBX1 1/20 0.40
HDAC1 Q13547 1/20 0.39
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
OPRD1 P41143 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
SCHEMBL6020825 0.91 F10 (0.46) CTSLCTSSCTSKF10MMP2
SCHEMBL6020270 0.90 F10 (0.45) CTSLCTSSCTSKF10MMP2
SCHEMBL6020564 0.89 CTSL (0.49) CTSLCTSSCTSKF10MMP2
SCHEMBL6020064 0.89 CTSS (0.52) CTSLCTSSCTSKF10MMP2
SCHEMBL6021398 0.88 CTSL (0.43) CTSLCTSSCTSKF10MMP2
SCHEMBL6019834 0.88 CTSL (0.48) CTSLCTSSCTSKF10MMP2
SCHEMBL6019597 0.88 CTSL (0.56) CTSLCTSSCTSKF10MMP2
SCHEMBL6020711 0.88 CTSL (0.51) CTSLCTSSCTSKF10MMP2
SCHEMBL6020920 0.88 CTSL (0.48) CTSLCTSSCTSKF10MMP2
SCHEMBL6020067 0.88 TACR1 (0.47) CTSLCTSSCTSKF10TACR1

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 12 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-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO claimed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO 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-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO disclosed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO 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 CTSL 2274/4885CTSS 2720/4885CTSK 2529/4885

“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.