SCHEMBL6019319

SCHEMBL6019319

CCOC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N(C#N)CC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.54
CTSS P25774 1/20 0.54
CTSK P43235 1/20 0.54
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP14 P50281 1/20 0.53
TACR1 P25103 4/20 0.52
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NMBR P28336 7/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
CCKBR P32239 1/20 0.49
CTSC P53634 1/20 0.49

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
SCHEMBL6020872 0.92 CTSL (0.55) CTSLCTSSCTSKMMP9MMP8
SCHEMBL6020622 0.92 TACR1 (0.56) CTSLCTSSCTSKMMP9MMP8
SCHEMBL6020868 0.91 NMBR (0.64) CTSLCTSSCTSKMMP9MMP8
SCHEMBL6020206 0.91 NMBR (0.53) CTSLCTSSCTSKMMP9MMP8
SCHEMBL6020973 0.90 MMP9 (0.55) CTSLCTSSCTSKMMP9MMP8
SCHEMBL6020030 0.89 CCKBR (0.54) CTSLCTSSCTSKMMP9MMP8
SCHEMBL6021347 0.89 TACR1 (0.63) CTSLCTSSCTSKMMP9MMP8
SCHEMBL6021226 0.88 CTSL (0.70) CTSLCTSSCTSKMMP9MMP8
SCHEMBL6019136 0.88 NMBR (0.51) CTSLCTSSCTSKMMP9MMP8
SCHEMBL6021101 0.87 MMP9 (0.57) CTSLCTSSCTSKMMP9MMP8

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 8 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
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 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.