SCHEMBL3017955

SCHEMBL3017955

COc1ccc(OC)c(Cc2csc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.52
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
USP2 O75604 2/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
RECQL P46063 2/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.41
GBA1 P04062 2/20 0.41
TSHR P16473 1/20 0.41
F2RL3 Q96RI0 1/20 0.39

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
SCHEMBL3016671 0.93 PKM (0.52) PKMALDH1A1L3MBTL1USP2HTT
SCHEMBL3016834 0.91 PKM (0.59) PKMALDH1A1L3MBTL1USP2HTT
SCHEMBL3013779 0.88 ALDH1A1 (0.49) ALDH1A1L3MBTL1USP2HTTLMNA
SCHEMBL3006881 0.87 ALDH1A1 (0.48) ALDH1A1L3MBTL1USP2HTTLMNA
SCHEMBL3018119 0.87 PKM (0.51) PKMALDH1A1USP2HTTLMNA
SCHEMBL3014359 0.87 DRD2 (0.42) PKMALDH1A1L3MBTL1USP2HTT
SCHEMBL3012014 0.87 ALDH1A1 (0.56) ALDH1A1L3MBTL1USP2HTTLMNA
SCHEMBL3014987 0.87 PKM (0.48) PKMALDH1A1L3MBTL1USP2HTT
SCHEMBL3012927 0.87 PKM (0.53) PKMALDH1A1L3MBTL1USP2HTT
SCHEMBL3015127 0.86 PKM (0.50) PKMALDH1A1USP2HTTLMNA

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 1047/4885ALDH1A1 3510/4885L3MBTL1 1847/4885

“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.