SCHEMBL6019624

SCHEMBL6019624

CS(=O)(=O)CC(NS(=O)(=O)c1cccs1)C(=O)NCC#N

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
CTSS P25774 4/20 0.52
CTSB P07858 3/20 0.52
LMNA P02545 1/20 0.49
CTSL P07711 1/20 0.48
CTSC P53634 1/20 0.47
MAPT P10636 3/20 0.47
CTSK P43235 2/20 0.46
CTSF Q9UBX1 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
TP53 P04637 3/20 0.46
THRB P10828 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 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
SCHEMBL6019853 0.91 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2HTTCTSS
SCHEMBL6020852 0.86 LMNA (0.57) TSHRALDH1A1SMN1; SMN2HTTCTSS
SCHEMBL6021523 0.85 TSHR (0.74) TSHRALDH1A1SMN1; SMN2HTTCTSS
SCHEMBL6020458 0.83 CTSS (0.49) CTSSCTSBCTSLCTSKCTSF
SCHEMBL6021258 0.82 ALDH1A1 (0.66) TSHRALDH1A1SMN1; SMN2HTTCTSS
SCHEMBL6019849 0.80 ALDH1A1 (0.43) TSHRALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL6019960 0.79 ALDH1A1 (0.62) TSHRALDH1A1SMN1; SMN2HTTCTSS
SCHEMBL6021197 0.78 CTSL (0.60) TSHRALDH1A1SMN1; SMN2HTTCTSS
SCHEMBL6740924 0.78 CTSB (0.45) TSHRALDH1A1SMN1; SMN2HTTCTSS
SCHEMBL6062844 0.78 CTSB (0.45) TSHRALDH1A1SMN1; SMN2HTTCTSS

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 TSHR 2910/4885ALDH1A1 662/4885SMN1; SMN2 3901/4885

“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.