SCHEMBL3016505

SCHEMBL3016505

COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2nc(-c3c(C)cc(C)cc3C)cs2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
KMT2A Q03164 3/20 0.47
USP2 O75604 2/20 0.47
ALOX15 P16050 1/20 0.46
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
RECQL P46063 2/20 0.44
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3009747 0.93 GAA (0.53) GAAKMT2AUSP2ALOX15MAPK1
SCHEMBL3014565 0.90 ALDH1A1 (0.57) GAAKMT2AUSP2MAPK1ALDH1A1
SCHEMBL3011599 0.90 GAA (0.54) GAAKMT2AUSP2ALOX15MAPK1
SCHEMBL3015989 0.89 ALDH1A1 (0.53) GAAKMT2AUSP2MAPK1ALDH1A1
SCHEMBL3011013 0.88 GAA (0.54) GAAKMT2AUSP2ALOX15MAPK1
SCHEMBL3009035 0.87 AR (0.53) GAAKMT2AUSP2ALOX15MAPK1
SCHEMBL3016144 0.86 GAA (0.52) GAAKMT2AUSP2ALOX15MAPK1
SCHEMBL3003103 0.86 GAA (0.52) GAAKMT2AUSP2ALOX15MAPK1
SCHEMBL3011127 0.86 SMN1; SMN2 (0.42) KMT2AUSP2MAPK1ALDH1A1MAPT
SCHEMBL3009822 0.85 MAPT (0.54) GAAKMT2AUSP2ALOX15MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188272-B1 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2016-02-24 EP disclosed
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
EP-2188272-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV Remynd (BE) 2010-05-26 EP disclosed
WO-2009019295-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-12 WO 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 110/4885KMT2A 2680/4885USP2 1831/4885

“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.