SCHEMBL3013113

SCHEMBL3013113

CCOc1ccc(-c2csc(N3CCC(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
MAPK1 P28482 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KCNQ1 P51787 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL3002212 0.90 MAPT (0.58) CTSSMAPTLMNAMAPK1MEN1
SCHEMBL3005503 0.89 MEN1 (0.48) CTSSMAPTLMNAMAPK1MEN1
SCHEMBL3015833 0.87 SMN1; SMN2 (0.53) CTSSMAPTLMNAMAPK1MEN1
SCHEMBL3009173 0.87 MEN1 (0.52) CTSSMAPTLMNAMAPK1MEN1
SCHEMBL3021202 0.87 MEN1 (0.47) CTSSMAPTLMNAMAPK1MEN1
SCHEMBL3019047 0.87 MAPT (0.48) CTSSMAPTLMNAMAPK1MEN1
SCHEMBL3020092 0.87 MAPT (0.48) CTSSMAPTLMNAMAPK1MEN1
SCHEMBL3003065 0.86 CTSS (0.44) CTSSKCNQ1L3MBTL1
SCHEMBL3023065 0.86 LMNA (0.55) MAPTLMNAMAPK1MEN1KMT2A
SCHEMBL3006941 0.86 KDM1A (0.55) CTSSMAPTLMNAMAPK1MEN1

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 106/4885MAPT 18/4885LMNA 80/4885

“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.