SCHEMBL6019539

SCHEMBL6019539

Cc1ccc(CNC(=O)NC(CS(C)(=O)=O)C(=O)NCC#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.52
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
CTSS P25774 7/20 0.45
CTSB P07858 7/20 0.45
CTSL P07711 4/20 0.45
CTSK P43235 4/20 0.44
NPC1 O15118 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
CTSV O60911 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL6019506 0.91 CTSS (0.53) ANPEPATMCTSSCTSBCTSL
SCHEMBL6020217 0.90 ANPEP (0.49) ANPEPATML3MBTL1SMN1; SMN2NPC1
SCHEMBL6020136 0.87 CTSB (0.55) CTSSCTSBCTSLCTSKCTSV
SCHEMBL6020770 0.84 ANPEP (0.55) ANPEPATML3MBTL1SMN1; SMN2CTSS
SCHEMBL6021043 0.82 ATM (0.69) ANPEPATML3MBTL1SMN1; SMN2CTSS
SCHEMBL6020101 0.82 ANPEP (0.48) ANPEPATML3MBTL1CTSSCTSB
SCHEMBL6020487 0.81 CTSL (0.63) ANPEPATML3MBTL1CTSSCTSB
SCHEMBL6020209 0.80 ANPEP (0.46) ANPEPATML3MBTL1SMN1; SMN2CTSS
SCHEMBL6445396 0.79 ANPEP (0.54) ANPEPCTSSCTSBCTSLCTSK
SCHEMBL6021007 0.79 CTSS (0.52) CTSSCTSBCTSLCTSK

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 ANPEP 3769/4885ATM 4526/4885L3MBTL1 1177/4885

“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.