SCHEMBL3006085

SCHEMBL3006085

O=S(=O)(c1cc(Cl)ccc1Cl)C1CCN(c2nc(Cc3cc(Cl)cc(Cl)c3)cs2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALOX15 P16050 1/20 0.37
RECQL P46063 1/20 0.36
MAPT P10636 1/20 0.36
CNR1 P21554 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.36
AR P10275 1/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ACHE P22303 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL3010661 0.94 PTGDR2 (0.35) GAAALDH1A1TSHRL3MBTL1ALOX15
SCHEMBL3012479 0.94 MAPT (0.39) GAAALDH1A1TSHRL3MBTL1ALOX15
SCHEMBL3009156 0.92 PTGDR2 (0.36) GAAALDH1A1TSHRL3MBTL1ALOX15
SCHEMBL3017811 0.92 TSHR (0.36) GAAALDH1A1TSHRL3MBTL1ALOX15
SCHEMBL3022234 0.92 RECQL (0.39) GAAALDH1A1TSHRL3MBTL1ALOX15
SCHEMBL3011255 0.92 MAPT (0.37) GAAALDH1A1TSHRL3MBTL1ALOX15
SCHEMBL3015043 0.92 GAA (0.40) GAAL3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL3011591 0.91 ACHE (0.36) GAAALDH1A1TSHRL3MBTL1ALOX15
SCHEMBL3021640 0.91 ACHE (0.36) GAAALDH1A1TSHRL3MBTL1ALOX15
SCHEMBL2997798 0.90 CTSS (0.43) GAAMAPTRAB9ASMN1; SMN2KMT2A

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 GAA 110/4885ALDH1A1 3510/4885TSHR 3320/4885

“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.