SCHEMBL3013544

SCHEMBL3013544

O=S(=O)(c1ccccc1Br)C1CCN(c2nc(Cc3ccc(F)c(F)c3)cs2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NAAA Q02083 4/20 0.35
CACNA1G O43497 2/20 0.34
CACNA1H O95180 2/20 0.34
CACNA1I Q9P0X4 2/20 0.34
LDHA P00338 7/20 0.34
LDHB P07195 1/20 0.33
GPR6 P46095 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL3016171 0.92 CTSS (0.38) CTSSSMN1; SMN2NPC1RAB9ANAAA
SCHEMBL3017972 0.92 CTSS (0.38) CTSSSMN1; SMN2NPC1RAB9ANAAA
SCHEMBL2998651 0.89 CTSS (0.40) CTSSSMN1; SMN2NPC1RAB9ANAAA
SCHEMBL3023029 0.89 CTSS (0.40) CTSSSMN1; SMN2NPC1RAB9ANAAA
SCHEMBL3000401 0.88 CTSS (0.41) CTSSSMN1; SMN2NPC1RAB9ANAAA
SCHEMBL3013730 0.88 CTSS (0.41) CTSSSMN1; SMN2NPC1RAB9ANAAA
SCHEMBL3009836 0.88 CTSS (0.41) CTSSSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3014642 0.88 CTSS (0.43) CTSSSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3011925 0.88 CTSS (0.45) CTSSSMN1; SMN2NPC1RAB9A
SCHEMBL3018515 0.87 CTSS (0.39) CTSSSMN1; SMN2RAB9ANAAAMEN1

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 106/4885SMN1; SMN2 1/4885NPC1 15/4885

“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.