SCHEMBL6019798

SCHEMBL6019798

CS(=O)(=O)CC(NC(=O)CCc1c[nH]c2ccccc12)C(=O)NCC#N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.58
CTSS P25774 1/20 0.55
CTSK P43235 1/20 0.55
MAPT P10636 3/20 0.53
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HCRTR1 O43613 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 2/20 0.46
RECQL P46063 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
FAAH O00519 1/20 0.45
GFER P55789 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL6020621 0.94 KDM4E (0.59) CTSLCTSSCTSKMAPTALDH1A1
SCHEMBL6020620 0.92 MAPT (0.50) CTSLCTSSCTSKMAPTALDH1A1
SCHEMBL6019966 0.90 CTSL (0.60) CTSLCTSSCTSKMAPTALDH1A1
SCHEMBL6020071 0.88 CTSL (0.74) CTSLCTSSCTSKMAPTALDH1A1
SCHEMBL6021026 0.86 KDM4E (0.56) CTSLCTSSCTSKMAPTALDH1A1
SCHEMBL6021348 0.86 CTSL (0.66) CTSLCTSSCTSKMAPTALDH1A1
SCHEMBL6020226 0.86 CTSL (0.60) CTSLCTSSCTSKMAPTALDH1A1
SCHEMBL6019440 0.83 CTSL (0.61) CTSLCTSSCTSKMAPTALDH1A1
SCHEMBL6020782 0.82 CTSL (0.71) CTSLCTSSCTSKALDH1A1KDM4E
SCHEMBL6021032 0.82 KDM4E (0.60) MAPTALDH1A1KDM4EL3MBTL1MEN1

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.