SCHEMBL3012585

SCHEMBL3012585

COc1cc(Cc2csc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)n2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
HTT P42858 1/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.42
GBA1 P04062 3/20 0.42
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
F2RL3 Q96RI0 2/20 0.38
KDM2B Q8NHM5 1/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
USP2 O75604 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3012927 0.92 PKM (0.53) PKMHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL3015127 0.90 PKM (0.50) PKMHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL3014976 0.88 MEN1 (0.43) PKMALDH1A1SMN1; SMN2GBA1GAA
SCHEMBL3016834 0.87 PKM (0.59) PKMHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL3018119 0.87 PKM (0.51) PKMHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL3009341 0.87 ALDH1A1 (0.40) HTTALDH1A1SMN1; SMN2KDM4EGBA1
SCHEMBL3017979 0.87 ALDH1A1 (0.47) PKMHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL3019436 0.87 DRD2 (0.39) PKMALDH1A1GAAF2RL3KMT2A
SCHEMBL3014987 0.86 PKM (0.48) PKMHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL3006966 0.86 GBA1 (0.50) PKMHTTALDH1A1SMN1; SMN2KDM4E

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 3 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

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 PKM 1047/4885HTT 2/4885ALDH1A1 3510/4885

“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.