SCHEMBL3020112

SCHEMBL3020112

O=S(=O)(c1ccc(Cl)cc1Cl)C1CCN(c2nc(Cc3ccc(F)c(Cl)c3)cs2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.38
GAA P10253 1/20 0.38
AR P10275 1/20 0.37
MAPT P10636 1/20 0.36
SOS1 Q07889 2/20 0.35
SCN9A Q15858 1/20 0.34
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
EPHX2 P34913 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
NPC1 O15118 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
SCHEMBL3016742 0.94 CTSS (0.38) CTSSGAAARMAPTSCN9A
SCHEMBL3008998 0.94 CTSS (0.45) CTSSARMAPTSOS1SCN9A
SCHEMBL3010709 0.94 CTSS (0.37) CTSSGAAARMAPTSCN9A
SCHEMBL3003801 0.93 GAA (0.36) CTSSGAAARMAPTSOS1
SCHEMBL3008156 0.93 GAA (0.39) CTSSGAAARMAPTRAB9A
SCHEMBL3009049 0.92 SOS1 (0.37) CTSSGAAMAPTSOS1SCN9A
SCHEMBL3006012 0.92 MAPT (0.39) CTSSGAAARMAPTSCN9A
SCHEMBL3003682 0.91 CTSS (0.40) CTSSMAPTSOS1RAB9ASMN1; SMN2
SCHEMBL3004614 0.90 CTSS (0.39) CTSSMAPTSOS1SCN9ARAB9A
SCHEMBL3016019 0.90 CTSS (0.40) CTSSGAAARMAPTRAB9A

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 106/4885GAA 110/4885AR 3801/4885

“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.