SCHEMBL6019978

SCHEMBL6019978

CCN(C#N)C(=O)C(Cc1ccc2ccccc2c1)NS(=O)(=O)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
TSHR P16473 1/20 0.44
F2 P00734 2/20 0.44
CTSC P53634 1/20 0.44
PTGER3 P43115 2/20 0.42
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER2 P43116 1/20 0.42
CTSB P07858 3/20 0.42
CTSS P25774 3/20 0.42
CTSL P07711 2/20 0.42
CTSK P43235 2/20 0.42
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL6020547 0.88 MAPT (0.56) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL6020511 0.87 ALDH1A1 (0.49) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL6020523 0.85 F2 (0.52) F2CTSBCTSSCTSLCTSK
SCHEMBL6019960 0.83 ALDH1A1 (0.62) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL6019514 0.82 F2 (0.51) F2
SCHEMBL6443541 0.82 CTSL (0.51) CTSCCTSBCTSSCTSLCTSK
SCHEMBL6020574 0.81 MMP13 (0.51) F2MMP9
SCHEMBL6020208 0.81 ALDH1A1 (0.53) MAPTALDH1A1F2CTSBCTSS
SCHEMBL6020891 0.80 LMNA (0.46) MAPTTP53THRBALDH1A1SMN1; SMN2
SCHEMBL6019849 0.80 ALDH1A1 (0.43) MAPTTP53THRBALDH1A1SMN1; 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 MAPT 4235/4885TP53 4859/4885THRB 2233/4885

“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.