SCHEMBL3022144

SCHEMBL3022144

COc1ccc(Cc2csc(N3CCN(S(=O)(=O)c4cc(Br)ccc4OC)CC3)n2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
ALDH1A1 P00352 5/20 0.48
USP2 O75604 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 2/20 0.48
RECQL P46063 2/20 0.48
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.44
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL3012701 0.94 GAA (0.50) GAAALDH1A1USP2L3MBTL1HTT
SCHEMBL3014595 0.94 ALDH1A1 (0.55) GAAALDH1A1USP2L3MBTL1HTT
SCHEMBL3002717 0.92 ALDH1A1 (0.41) GAAALDH1A1USP2L3MBTL1HTT
SCHEMBL3008922 0.90 ALDH1A1 (0.50) GAAALDH1A1USP2L3MBTL1HTT
SCHEMBL3010727 0.90 MAPT (0.50) ALDH1A1USP2L3MBTL1HTTLMNA
SCHEMBL3015128 0.90 GAA (0.51) GAAALDH1A1USP2L3MBTL1HTT
SCHEMBL3011626 0.90 GAA (0.51) GAAALDH1A1USP2L3MBTL1HTT
SCHEMBL3013082 0.89 ALDH1A1 (0.46) ALDH1A1USP2L3MBTL1HTTLMNA
SCHEMBL3653214 0.89 GAA (0.45) GAAALDH1A1USP2L3MBTL1HTT
SCHEMBL3653907 0.88 KMT2A (0.48) GAAALDH1A1USP2L3MBTL1HTT

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 110/4885ALDH1A1 3510/4885USP2 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.