SCHEMBL3020139

SCHEMBL3020139

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.36
CACNA1G O43497 2/20 0.35
CACNA1H O95180 2/20 0.35
CACNA1I Q9P0X4 2/20 0.35
CTSL P07711 1/20 0.33
SOS1 Q07889 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SCN9A Q15858 1/20 0.32
DNM1L O00429 1/20 0.31

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
SCHEMBL3009049 0.95 SOS1 (0.37) CTSSCTSLSOS1NPC1RAB9A
SCHEMBL3010972 0.95 CTSS (0.36) CTSSNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3016742 0.92 CTSS (0.38) CTSSCACNA1GCACNA1HCACNA1IRAB9A
SCHEMBL3016792 0.91 CTSS (0.45) CTSSCACNA1GCACNA1HCACNA1INPC1
SCHEMBL3013818 0.91 MAPT (0.36) CTSSNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3012960 0.90 LMNA (0.36) CTSSNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3002528 0.90 CTSS (0.35) CTSSNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3014215 0.90 CTSS (0.39) CTSSNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3013907 0.89 CTSS (0.38) CTSSNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3002683 0.89 CTSS (0.38) CTSSCTSLNPC1RAB9ASMN1; SMN2

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.