SCHEMBL3002133

SCHEMBL3002133

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2nc(Cc3cc(F)cc(Cl)c3)cs2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
POLB P06746 1/20 0.46
HSD11B1 P28845 3/20 0.45
KDM4E B2RXH2 1/20 0.45
GBA1 P04062 2/20 0.44
CNR1 P21554 2/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
PKLR P30613 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 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
SCHEMBL3011319 0.95 HTT (0.51) HTTPOLBHSD11B1KDM4EGBA1
SCHEMBL3008177 0.94 HTT (0.52) HTTPOLBHSD11B1KDM4EGBA1
SCHEMBL3022787 0.90 ALDH1A1 (0.45) GBA1ALDH1A1SMN1; SMN2PKMPKLR
SCHEMBL3012092 0.90 ALDH1A1 (0.45) POLBHSD11B1KDM4EGBA1ALDH1A1
SCHEMBL3010945 0.90 HTT (0.51) HTTPOLBHSD11B1KDM4EGBA1
SCHEMBL3004399 0.89 HTT (0.48) HTTPOLBHSD11B1KDM4EGBA1
SCHEMBL3119235 0.88 ALDH1A1 (0.43) HTTPOLBHSD11B1KDM4EGBA1
SCHEMBL3002884 0.87 ALDH1A1 (0.47) HTTKDM4ECNR1ALDH1A1SMN1; SMN2
SCHEMBL3019400 0.87 HTT (0.48) HTTPOLBHSD11B1KDM4EGBA1
SCHEMBL3004521 0.87 HTT (0.50) HTTPOLBHSD11B1KDM4EGBA1

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.