SCHEMBL6019266

SCHEMBL6019266

N#CCNC(=O)C(Cc1csc2ccccc12)NC(=S)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.61
CTSK P43235 5/20 0.61
CTSL P07711 5/20 0.61
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
PTBP1 P26599 1/20 0.45
HTT P42858 1/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
TACR1 P25103 1/20 0.43
FPR2 P25090 1/20 0.42
KLKB1 P03952 3/20 0.41
KLK1 P06870 2/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CTSB P07858 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
SCHEMBL6019270 0.92 CTSS (0.51) CTSSCTSKCTSLMAPTSMN1; SMN2
SCHEMBL6020846 0.92 CTSS (0.63) CTSSCTSKCTSLMAPTSMN1; SMN2
SCHEMBL6019488 0.90 CTSS (0.62) CTSSCTSKCTSLMAPTFPR2
SCHEMBL6019940 0.89 CTSS (0.67) CTSSCTSKCTSLMAPTTACR1
SCHEMBL6021082 0.88 CTSS (0.59) CTSSCTSKCTSLTACR1KLKB1
SCHEMBL6019269 0.85 CTSL (0.44) CTSSCTSKCTSLMAPTSMN1; SMN2
SCHEMBL6020299 0.84 FPR2 (0.59) CTSSCTSKCTSLMAPTSMN1; SMN2
SCHEMBL6019848 0.84 CTSS (0.52) CTSSCTSKCTSLMAPTSMN1; SMN2
SCHEMBL6020077 0.84 CTSL (0.61) CTSSCTSKCTSLMAPTSMN1; SMN2
SCHEMBL6020734 0.83 CTSL (0.58) CTSSCTSKCTSLMAPTSMN1; SMN2

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 CTSS 2720/4885CTSK 2529/4885CTSL 2274/4885

“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.