SCHEMBL3016019

SCHEMBL3016019

O=S(=O)(c1ccc(Cl)cc1Cl)C1CCN(c2nc(Cc3cc(F)cc(F)c3)cs2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.40
GAA P10253 1/20 0.36
EPHX2 P34913 1/20 0.35
AR P10275 1/20 0.35
GRM5 P41594 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 1/20 0.34
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TRPV4 Q9HBA0 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
SCHEMBL3005379 0.96 CTSS (0.39) CTSSGAAEPHX2ARGRM5
SCHEMBL3007308 0.94 CTSS (0.47) CTSSMAPTSMN1; SMN2RAB9ADRD2
SCHEMBL3009156 0.93 PTGDR2 (0.36) CTSSGAAEPHX2ARGRM5
SCHEMBL3015043 0.92 GAA (0.40) CTSSGAAARMAPTSMN1; SMN2
SCHEMBL3014215 0.91 CTSS (0.39) CTSSSMN1; SMN2RAB9AALDH1A1L3MBTL1
SCHEMBL3012230 0.91 CTSS (0.45) CTSSGAAPTGDR2SMN1; SMN2RAB9A
SCHEMBL3006012 0.91 MAPT (0.39) CTSSGAAARMAPTSMN1; SMN2
SCHEMBL3016742 0.90 CTSS (0.38) CTSSGAAEPHX2ARPTGDR2
SCHEMBL3020112 0.90 CTSS (0.38) CTSSGAAEPHX2ARPTGDR2
SCHEMBL3013842 0.90 CTSS (0.47) CTSSGAAPTGDR2SMN1; SMN2RAB9A

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 110/4885EPHX2 4409/4885

“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.