SCHEMBL6019816

SCHEMBL6019816

CCN(C#N)C(=O)C(CSC)NC(=O)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.48
CTSB P07858 2/20 0.48
CTSS P25774 2/20 0.48
CTSK P43235 2/20 0.48
UTS2R Q9UKP6 1/20 0.44
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
FPR2 P25090 8/20 0.41
ROCK2 O75116 3/20 0.41
ROCK1 Q13464 3/20 0.41
DHODH Q02127 1/20 0.41
CASR P41180 1/20 0.40
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL6021011 0.89 CYP2C9 (0.50) CTSLCTSBCTSSCTSKUTS2R
SCHEMBL6020184 0.88 FPR2 (0.51) CTSLCTSBCTSSCTSKFPR2
SCHEMBL6020182 0.87 SAE1 (0.45) CTSLCTSBCTSSCTSKMEN1
SCHEMBL6021519 0.86 CTSL (0.46) CTSLCTSBCTSSCTSKUTS2R
SCHEMBL6019541 0.84 FPR2 (0.47) CTSLCTSBCTSSCTSKUTS2R
SCHEMBL6019920 0.84 GAA (0.45) CTSLCTSBCTSSCTSKNPC1
SCHEMBL6019512 0.84 CTSL (0.50) CTSLCTSBCTSSCTSKFPR2
SCHEMBL6020406 0.84 MEN1 (0.46) MEN1NPC1RAB9AKMT2AFPR2
SCHEMBL6021076 0.83 MCHR1 (0.41) CTSLCTSBCTSSCTSKNPC1
SCHEMBL6019735 0.82 CTSB (0.52) CTSLCTSBCTSSCTSKFPR2

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 9 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-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 2274/4885CTSB 2514/4885CTSS 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.