SCHEMBL6021046

SCHEMBL6021046

CC(C)(C)c1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCC#N)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.73
MAPT P10636 1/20 0.73
CTSS P25774 8/20 0.56
CTSL P07711 7/20 0.56
MMP2 P08253 6/20 0.56
CTSK P43235 5/20 0.56
MMP9 P14780 5/20 0.56
CTSB P07858 5/20 0.55
ADAMTS4 O75173 1/20 0.53
F2 P00734 2/20 0.51
TMPRSS6 Q8IU80 2/20 0.51

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
SCHEMBL6020197 0.93 ALDH1A1 (0.69) ALDH1A1MAPTCTSSCTSLMMP2
SCHEMBL6020558 0.91 ALDH1A1 (0.60) ALDH1A1MAPTCTSSCTSLMMP2
SCHEMBL6019308 0.90 CTSS (0.64) CTSSCTSLMMP2CTSKMMP9
SCHEMBL6020389 0.89 CTSS (0.60) ALDH1A1MAPTCTSSCTSLMMP2
SCHEMBL6020328 0.86 MMP2 (0.65) ALDH1A1MAPTCTSSCTSLMMP2
SCHEMBL31086912 0.86 ALDH1A1 (0.80) ALDH1A1MAPTMMP2MMP9ADAMTS4
SCHEMBL31086837 0.85 ALDH1A1 (1.00) ALDH1A1MAPTMMP2MMP9ADAMTS4
SCHEMBL6019687 0.84 MMP2 (0.68) MAPTCTSSCTSLMMP2CTSK
SCHEMBL6020538 0.84 ALDH1A1 (0.53) ALDH1A1MAPTCTSSCTSLCTSK
SCHEMBL6020970 0.84 ALDH1A1 (0.53) ALDH1A1MAPTCTSSCTSLCTSB

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 ALDH1A1 662/4885MAPT 4235/4885CTSS 2720/4885

“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.