SCHEMBL3008060

SCHEMBL3008060

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2nc(Cc3cccc(Br)c3)cs2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
POLB P06746 1/20 0.47
HSD11B1 P28845 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GBA1 P04062 3/20 0.46
GAA P10253 1/20 0.44
PKM P14618 1/20 0.43
PKLR P30613 1/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.41
CNR1 P21554 2/20 0.41

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
SCHEMBL3012643 0.91 HTT (0.59) HTTPOLBHSD11B1KDM4EGBA1
SCHEMBL3012672 0.91 KMT2A (0.50) HTTKDM4EGBA1KMT2ASMN1; SMN2
SCHEMBL3010293 0.89 POLB (0.51) HTTPOLBHSD11B1KDM4EGBA1
SCHEMBL3011319 0.88 HTT (0.51) HTTPOLBHSD11B1KDM4EGBA1
SCHEMBL3005390 0.88 SMN1; SMN2 (0.45) GBA1GAAPKMPKLRKMT2A
SCHEMBL3010806 0.88 HTT (0.50) HTTPOLBHSD11B1KDM4EGBA1
SCHEMBL3004521 0.88 HTT (0.50) HTTPOLBHSD11B1KDM4EGBA1
SCHEMBL3008177 0.87 HTT (0.52) HTTPOLBHSD11B1KDM4EGBA1
SCHEMBL3011882 0.87 MAPT (0.52) HTTPOLBHSD11B1KDM4EGBA1
SCHEMBL3007412 0.87 MEN1 (0.46) HTTKDM4EKMT2ASMN1; SMN2LMNA

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 HTT 2/4885POLB 4649/4885HSD11B1 1034/4885

“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.