SCHEMBL3010806

SCHEMBL3010806

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2nc(Cc3ccc(Cl)c(Cl)c3)cs2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
POLB P06746 1/20 0.47
HSD11B1 P28845 4/20 0.47
KDM4E B2RXH2 1/20 0.47
GBA1 P04062 2/20 0.46
PKM P14618 1/20 0.46
PKLR P30613 1/20 0.46
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
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
SCHEMBL3019400 0.93 HTT (0.48) HTTPOLBHSD11B1KDM4EGBA1
SCHEMBL3004399 0.93 HTT (0.48) HTTPOLBHSD11B1KDM4EGBA1
SCHEMBL3010945 0.92 HTT (0.51) HTTPOLBHSD11B1KDM4EGBA1
SCHEMBL3011319 0.90 HTT (0.51) HTTPOLBHSD11B1KDM4EGBA1
SCHEMBL3004521 0.89 HTT (0.50) HTTPOLBHSD11B1KDM4EGBA1
SCHEMBL3012643 0.89 HTT (0.59) HTTPOLBHSD11B1KDM4EGBA1
SCHEMBL3010163 0.89 POLB (0.53) HTTPOLBHSD11B1KDM4EGBA1
SCHEMBL3016124 0.88 HTT (0.51) HTTPOLBHSD11B1KDM4EGBA1
SCHEMBL3009537 0.88 POLB (0.52) HTTPOLBHSD11B1KDM4EGBA1
SCHEMBL3020427 0.88 ALDH1A1 (0.45) HSD11B1GBA1PKMPKLRKMT2A

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.