SCHEMBL6020518

SCHEMBL6020518

N#CCCNC(=O)C(Cc1ccc(O)cc1)NS(=O)(=O)c1cccs1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HTT P42858 2/20 0.60
MAPT P10636 4/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
THRB P10828 1/20 0.48
CTSL P07711 2/20 0.46
KMT2A Q03164 1/20 0.45
PKM P14618 2/20 0.42
USP2 O75604 1/20 0.42
GLA P06280 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
ITGB3 P05106 2/20 0.41
ITGA2B P08514 1/20 0.41
ITGAV P06756 1/20 0.41

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
SCHEMBL6020552 0.92 TSHR (0.72) TSHRALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL6021258 0.91 ALDH1A1 (0.66) TSHRALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL6019981 0.86 TSHR (0.56) TSHRALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL6020833 0.83 MEN1 (0.52) ALDH1A1MAPTCTSLKMT2ACTSS
SCHEMBL6021523 0.83 TSHR (0.74) TSHRALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL6019853 0.82 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL6020897 0.82 LMNA (0.56) TSHRALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL6021752 0.80 TSHR (0.51) TSHRALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL6021345 0.79 MEN1 (0.50) ALDH1A1CTSLKMT2ACTSSCTSK
SCHEMBL6020417 0.78 CTSL (0.52) TSHRALDH1A1SMN1; SMN2HTTCTSL

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 10 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
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 662/4885SMN1; SMN2 3901/4885

“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.