SCHEMBL3016792

SCHEMBL3016792

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.45
CACNA1G O43497 2/20 0.35
CACNA1H O95180 2/20 0.35
CACNA1I Q9P0X4 2/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
KCNH2 Q12809 1/20 0.35
NAAA Q02083 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SCN9A Q15858 1/20 0.33
GPR6 P46095 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
SCHEMBL3008998 0.95 CTSS (0.45) CTSSDRD2HTR2AHTR2CKCNH2
SCHEMBL3008760 0.95 CTSS (0.45) CTSSDRD2HTR2AHTR2CKCNH2
SCHEMBL3016742 0.94 CTSS (0.38) CTSSCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL3003446 0.93 CTSS (0.46) CTSSDRD2HTR2AHTR2CKCNH2
SCHEMBL3014949 0.92 CTSS (0.45) CTSSNAAASMN1; SMN2L3MBTL1LMNA
SCHEMBL3013842 0.92 CTSS (0.47) CTSSDRD2HTR2AHTR2CKCNH2
SCHEMBL3001195 0.92 LMNA (0.39) CTSSCACNA1GCACNA1HCACNA1IDRD2
SCHEMBL3020139 0.91 CTSS (0.36) CTSSCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL2998651 0.90 CTSS (0.40) CTSSCACNA1GCACNA1HCACNA1IHTR2A
SCHEMBL3007308 0.90 CTSS (0.47) CTSSDRD2HTR2AHTR2CKCNH2

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 106/4885CACNA1G 3093/4885CACNA1H 3804/4885

“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.