SCHEMBL6019330

SCHEMBL6019330

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

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.70
CTSS P25774 1/20 0.70
CTSK P43235 1/20 0.70
BRS3 P32247 2/20 0.52
ACE P12821 2/20 0.52
FPR1 P21462 1/20 0.50
FPR2 P25090 1/20 0.50
TACR1 P25103 1/20 0.50
TACR3 P29371 1/20 0.49
ECE1 P42892 2/20 0.49
KMT2A Q03164 1/20 0.48

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
SCHEMBL6019898 0.92 CTSL (0.59) CTSLCTSSCTSKBRS3TACR1
SCHEMBL6020221 0.84 CTSL (0.74) CTSLCTSSCTSKBRS3TACR1
SCHEMBL6019857 0.84 CTSL (0.80) CTSLCTSSCTSKACETACR1
SCHEMBL6020140 0.82 CTSL (0.71) CTSLCTSSCTSKBRS3ACE
SCHEMBL6020130 0.82 CTSL (0.71) CTSLCTSSCTSKBRS3ACE
SCHEMBL6021511 0.82 CTSS (1.00) CTSLCTSSCTSKACETACR1
SCHEMBL6019891 0.82 CTSL (0.50) CTSLCTSSCTSKACETACR1
SCHEMBL6020310 0.82 CTSL (0.77) CTSLCTSSCTSKBRS3ACE
SCHEMBL5526323 0.82 CTSL (1.00) CTSLCTSSCTSKTACR1
SCHEMBL6019220 0.82 CTSL (0.81) CTSLCTSSCTSKACETACR1

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 2274/4885CTSS 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.