SCHEMBL6019713

SCHEMBL6019713

CC(C)(C)c1ccc(S(=O)(=O)NC(Cc2csc3ccccc23)C(=O)NCC#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.61
CTSK P43235 5/20 0.61
CTSL P07711 4/20 0.61
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43
MMP25 Q9NPA2 1/20 0.43
NR3C1 P04150 1/20 0.41
NR3C2 P08235 1/20 0.41
NPY5R Q15761 1/20 0.41
PSMB8 P28062 1/20 0.40
PSMB5 P28074 1/20 0.40
TACR1 P25103 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
SCHEMBL6019746 0.93 CTSL (0.53) CTSSCTSKCTSLALDH1A1MAPT
SCHEMBL6020049 0.92 CTSS (0.63) CTSSCTSKCTSLALDH1A1MMP2
SCHEMBL6020513 0.89 CTSL (0.58) CTSSCTSKCTSLMMP2MMP9
SCHEMBL6021482 0.87 CTSL (0.59) CTSSCTSKCTSLMMP2MMP9
SCHEMBL6020325 0.86 CTSS (0.58) CTSSCTSKCTSLMAPTMMP2
SCHEMBL6020633 0.85 CTSL (0.53) CTSSCTSKCTSLMMP2MMP9
SCHEMBL6019745 0.83 CTSL (0.46) CTSSCTSKCTSLALDH1A1MAPT
SCHEMBL6021197 0.83 CTSL (0.60) CTSSCTSKCTSLALDH1A1MAPT
SCHEMBL6021046 0.82 ALDH1A1 (0.73) CTSSCTSKCTSLALDH1A1MAPT
SCHEMBL6020436 0.82 CTSL (0.48) CTSSCTSKCTSLMAPTMMP2

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.