SCHEMBL3003065

SCHEMBL3003065

CCOc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.44
SCD O00767 2/20 0.38
LIPE Q05469 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNQ1 P51787 1/20 0.35
F2 P00734 1/20 0.34

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
SCHEMBL3008339 0.92 CTSS (0.45) CTSSSCDKCNQ1
SCHEMBL3002549 0.91 CTSS (0.45) CTSSSCDL3MBTL1
SCHEMBL3015113 0.89 CTSS (0.44) CTSSSCDL3MBTL1
SCHEMBL3012385 0.89 CTSS (0.45) CTSSSCDL3MBTL1
SCHEMBL3001422 0.89 CTSS (0.47) CTSSSCDL3MBTL1
SCHEMBL3006934 0.87 CTSS (0.42) CTSSL3MBTL1F2
SCHEMBL3018898 0.87 CTSS (0.40) CTSSL3MBTL1
SCHEMBL3018638 0.87 CTSS (0.44) CTSSSCDL3MBTL1
SCHEMBL3012369 0.86 KMT2A (0.47) LIPE
SCHEMBL3013113 0.86 CTSS (0.47) CTSSL3MBTL1KCNQ1

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 106/4885SCD 2651/4885LIPE 2030/4885

“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.