SCHEMBL3017583

SCHEMBL3017583

COc1cc(Cc2csc(N3CCC(S(=O)(=O)c4ccccc4Br)CC3)n2)cc(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
DRD2 P14416 3/20 0.34
DRD4 P21917 3/20 0.34
DRD3 P35462 3/20 0.34
F2RL3 Q96RI0 3/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ULK1 O75385 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL3017061 0.91 CTSS (0.38) CTSSDRD2DRD4DRD3MAPT
SCHEMBL3016132 0.90 MEN1 (0.39) CTSSALDH1A1GAAMAPK1MAPT
SCHEMBL3018818 0.90 TDP1 (0.42) CTSSALDH1A1F2RL3MAPTLMNA
SCHEMBL3019045 0.88 GAA (0.38) ALDH1A1GAAMAPK1DRD2DRD4
SCHEMBL3019436 0.87 DRD2 (0.39) CTSSALDH1A1GAAMAPK1DRD2
SCHEMBL3013302 0.87 CTSS (0.42) CTSSALDH1A1GAAMAPK1MEN1
SCHEMBL3015110 0.87 L3MBTL1 (0.43) CTSSALDH1A1MAPK1MAPTUSP2
SCHEMBL3015248 0.87 CTSS (0.39) CTSSALDH1A1MAPK1DRD2DRD4
SCHEMBL3006226 0.87 CTSS (0.40) CTSSMAPK1MEN1KMT2AHRH3
SCHEMBL3018893 0.86 CTSS (0.39) CTSSALDH1A1GAAMAPK1F2RL3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 US disclosed
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2010-08-05 US 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-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA CTSS 106/4885ALDH1A1 3510/4885GAA 110/4885

“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.