SCHEMBL6021752

SCHEMBL6021752

N#CCCNC(=O)C(Cc1csc2ccccc12)NS(=O)(=O)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
ALDH1A1 P00352 5/20 0.51
CTSL P07711 2/20 0.51
CTSS P25774 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CTSK P43235 1/20 0.51
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP14 P50281 1/20 0.45
MMP25 Q9NPA2 1/20 0.45
LMNA P02545 1/20 0.43
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.38

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
SCHEMBL6021197 0.92 CTSL (0.60) TSHRALDH1A1CTSLCTSSHTT
SCHEMBL6020633 0.88 CTSL (0.53) CTSLCTSSCTSKMMP1MMP2
SCHEMBL6020436 0.84 CTSL (0.48) CTSLCTSSCTSKMMP1MMP2
SCHEMBL6020417 0.84 CTSL (0.52) TSHRALDH1A1CTSLCTSSHTT
SCHEMBL6020552 0.83 TSHR (0.72) TSHRALDH1A1CTSLCTSSHTT
SCHEMBL6019746 0.83 CTSL (0.53) ALDH1A1CTSLCTSSCTSKMMP1
SCHEMBL6020318 0.82 CTSL (0.50) ALDH1A1CTSLCTSSCTSKMMP1
SCHEMBL6020049 0.81 CTSS (0.63) ALDH1A1CTSLCTSSHTTSMN1; SMN2
SCHEMBL6020966 0.80 CTSL (0.48) CTSLCTSSHTTSMN1; SMN2CTSK
SCHEMBL6020518 0.80 TSHR (0.60) TSHRALDH1A1CTSLCTSSHTT

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 662/4885CTSL 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.