SCHEMBL3000577

SCHEMBL3000577

O=S(=O)(c1ccccc1C(F)(F)F)C1CCN(c2nc(Cc3ccc(Cl)c(Cl)c3)cs2)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.43
SCD O00767 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD11B1 P28845 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3015364 0.93 CTSS (0.43) CTSSSCDL3MBTL1
SCHEMBL3012591 0.93 CTSS (0.43) CTSSSCDL3MBTL1MEN1KMT2A
SCHEMBL3018638 0.90 CTSS (0.44) CTSSSCDL3MBTL1
SCHEMBL3016576 0.90 CTSS (0.45) CTSSSCDL3MBTL1
SCHEMBL3009939 0.89 CTSS (0.42) CTSSL3MBTL1MEN1KMT2A
SCHEMBL3011925 0.89 CTSS (0.45) CTSSSCDL3MBTL1
SCHEMBL3001422 0.88 CTSS (0.47) CTSSSCDL3MBTL1MEN1KMT2A
SCHEMBL3019209 0.88 CTSS (0.46) CTSSSCDL3MBTL1
SCHEMBL3017170 0.87 CTSS (0.45) CTSSSCDL3MBTL1
SCHEMBL3018515 0.87 CTSS (0.39) CTSSL3MBTL1MEN1KMT2A

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 2651/4885L3MBTL1 1847/4885

“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.