SCHEMBL3019044

SCHEMBL3019044

O=S(=O)(c1cc(Cl)ccc1Cl)C1CCN(c2nc(Cc3ccc(F)c(F)c3)cs2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.36
CACNA1H O95180 2/20 0.36
CACNA1I Q9P0X4 2/20 0.36
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CNR1 P21554 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SCN9A Q15858 1/20 0.33
AR P10275 1/20 0.33
USP2 O75604 1/20 0.33
CTSS P25774 2/20 0.33

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
SCHEMBL3009884 0.96 MAPT (0.36) CACNA1GCACNA1HCACNA1IALDH1A1RECQL
SCHEMBL3003801 0.94 GAA (0.36) ALDH1A1RECQLPTGDR2GAATSHR
SCHEMBL3016742 0.93 CTSS (0.38) CACNA1GCACNA1HCACNA1IPTGDR2GAA
SCHEMBL3011255 0.92 MAPT (0.37) ALDH1A1RECQLGAATSHRALOX15
SCHEMBL3012479 0.92 MAPT (0.39) ALDH1A1RECQLGAATSHRALOX15
SCHEMBL2998651 0.91 CTSS (0.40) CACNA1GCACNA1HCACNA1IALDH1A1MAPT
SCHEMBL3022829 0.91 MEN1 (0.39) CACNA1GCACNA1HCACNA1IALDH1A1TSHR
SCHEMBL3010709 0.90 CTSS (0.37) GAAMAPTRAB9ASMN1; SMN2SCN9A
SCHEMBL3009156 0.90 PTGDR2 (0.36) ALDH1A1RECQLPTGDR2GAATSHR
SCHEMBL3006085 0.90 GAA (0.38) ALDH1A1RECQLGAATSHRALOX15

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 CACNA1G 3093/4885CACNA1H 3804/4885CACNA1I 2345/4885

“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.