SCHEMBL3013091

SCHEMBL3013091

COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2nc(Cc3ccc(C)cc3)cs2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
KMT2A Q03164 2/20 0.48
USP2 O75604 1/20 0.48
MAPK1 P28482 2/20 0.46
ALOX15 P16050 1/20 0.45
ALDH1A1 P00352 5/20 0.44
PKM P14618 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 3/20 0.43
KDM4E B2RXH2 1/20 0.43
STAT3 P40763 1/20 0.43
RECQL P46063 2/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL3650296 0.97 MAPK1 (0.52) GAAKMT2AUSP2MAPK1ALOX15
SCHEMBL3011626 0.93 GAA (0.51) GAAKMT2AUSP2MAPK1ALOX15
SCHEMBL3010047 0.93 GAA (0.51) GAAKMT2AUSP2MAPK1ALOX15
SCHEMBL2998195 0.93 GAA (0.51) GAAKMT2AUSP2MAPK1ALOX15
SCHEMBL3015767 0.92 GAA (0.50) GAAKMT2AUSP2ALOX15ALDH1A1
SCHEMBL3021724 0.92 GAA (0.52) GAAKMT2AUSP2ALOX15ALDH1A1
SCHEMBL2997726 0.92 GAA (0.52) GAAKMT2AUSP2MAPK1ALOX15
SCHEMBL3007150 0.91 GAA (0.49) GAAKMT2AUSP2MAPK1ALOX15
SCHEMBL3024005 0.91 GAA (0.49) GAAKMT2AUSP2MAPK1ALOX15
SCHEMBL3018401 0.91 GAA (0.48) GAAKMT2AUSP2MAPK1ALOX15

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 4 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
US-20100197687-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 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 (2 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-20100197687-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, TPH1 GAA 3875/4885KMT2A 3808/4885USP2 3690/4885
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.