SCHEMBL6019675

SCHEMBL6019675

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.56
CTSC P53634 2/20 0.55
CTSS P25774 2/20 0.53
CTSB P07858 1/20 0.53
ACE P12821 2/20 0.53
MMP9 P14780 3/20 0.52
MMP8 P22894 2/20 0.52
CTSK P43235 1/20 0.52
ECE1 P42892 2/20 0.52
ALOX15 P16050 1/20 0.51
MMP3 P08254 3/20 0.51
MMP2 P08253 2/20 0.51
MMP1 P03956 2/20 0.51
MMP14 P50281 1/20 0.51
KDM4E B2RXH2 1/20 0.50
APAF1 O14727 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
RECQL P46063 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL6021228 0.87 CTSL (0.74) CTSLCTSSACECTSKECE1
SCHEMBL6020632 0.85 CTSL (0.62) CTSLCTSCCTSSCTSBACE
SCHEMBL6020917 0.84 CTSL (0.77) CTSLCTSCCTSSCTSBACE
SCHEMBL6019145 0.84 NMBR (0.58) CTSLCTSCCTSSCTSKKDM4E
SCHEMBL6019672 0.83 CTSL (0.60) CTSLCTSSCTSKHDAC3HDAC4
SCHEMBL6019329 0.83 MAPT (0.59) CTSLCTSCCTSSCTSBCTSK
SCHEMBL6019576 0.83 CTSL (0.57) CTSLCTSCCTSSCTSBACE
SCHEMBL6021236 0.82 CTSL (0.77) CTSLCTSSACECTSKMAPT
SCHEMBL6020889 0.82 CTSL (0.60) CTSLCTSCCTSSCTSBACE
SCHEMBL6020884 0.82 NMBR (0.71) CTSLCTSCCTSSCTSKKDM4E

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 2274/4885CTSC 4120/4885CTSS 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.