SCHEMBL3011818

SCHEMBL3011818

CCc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(F)cc4Cl)CC3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.46
NAAA Q02083 4/20 0.35
MAPK1 P28482 1/20 0.34
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
CTSK P43235 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ENPP2 Q13822 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3015766 0.93 CTSS (0.45) CTSSNAAAMAPK1HRH3
SCHEMBL3018853 0.93 CTSS (0.45) CTSSNAAAMAPK1HRH3SMN1; SMN2
SCHEMBL3003446 0.93 CTSS (0.46) CTSSNAAACTSLCTSBCTSK
SCHEMBL2998446 0.91 GAA (0.36) CTSSMAPK1SMN1; SMN2
SCHEMBL3002748 0.91 CTSS (0.48) CTSSNAAAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3015637 0.91 LMNA (0.38) CTSSNAAAMAPK1HRH3SMN1; SMN2
SCHEMBL3020009 0.91 CTSS (0.45) CTSS
SCHEMBL2998519 0.91 CTSS (0.45) CTSSMAPK1ALDH1A1SMN1; SMN2
SCHEMBL3014949 0.90 CTSS (0.45) CTSSNAAAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3007308 0.90 CTSS (0.47) CTSSNAAAMAPK1HRH3ALDH1A1

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 106/4885NAAA 3229/4885MAPK1 2767/4885

“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.