SCHEMBL3016587

SCHEMBL3016587

COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2nc(-c3cc(C)ccc3C)cs2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.53
KMT2A Q03164 2/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 3/20 0.51
TSHR P16473 3/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 3/20 0.48
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL3016127 0.90 MAPK1 (0.56) ARKMT2AUSP2GAAMAPT
SCHEMBL3014366 0.90 ALDH1A1 (0.52) KMT2AUSP2GAAMAPTTSHR
SCHEMBL3015176 0.90 AR (0.57) ARKMT2AUSP2MAPTTSHR
SCHEMBL3009035 0.89 AR (0.53) ARKMT2AUSP2GAAMAPT
SCHEMBL3010848 0.88 ALDH1A1 (0.54) KMT2AUSP2GAAMAPTTSHR
SCHEMBL3015256 0.88 AR (0.57) ARKMT2AMAPTTSHRLMNA
SCHEMBL3002440 0.88 AR (0.56) ARKMT2AUSP2GAAMAPT
SCHEMBL3015989 0.87 ALDH1A1 (0.53) KMT2AUSP2GAAMAPTTSHR
SCHEMBL15671700 0.87 MAPT (0.50) KMT2AUSP2GAAMAPTTSHR
SCHEMBL3006383 0.86 ALDH1A1 (0.52) KMT2AUSP2MAPTTSHRLMNA

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 AR 3801/4885KMT2A 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.