SCHEMBL3016943

SCHEMBL3016943

COc1ccc(S(=O)(=O)N2CCN(CC(N)=S)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.66
NPC1 O15118 1/20 0.66
PKLR P30613 1/20 0.66
RAB9A P51151 1/20 0.66
ALDH1A1 P00352 6/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C19 P33261 2/20 0.64
GAA P10253 2/20 0.64
CYP1A2 P05177 1/20 0.64
ALOX15 P16050 1/20 0.62
CHRNB2 P17787 3/20 0.61
CHRNB4 P30926 3/20 0.61
CHRNA3 P32297 3/20 0.61
CHRNA4 P43681 3/20 0.61
POLB P06746 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
LMNA P02545 2/20 0.60

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
SCHEMBL28213018 0.85 PKM (0.71) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL3818639 0.84 PKM (0.69) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL3005671 0.82 PKM (0.71) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL31315853 0.81 PKM (1.00) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL1722721 0.81 PKM (1.00) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL23775435 0.80 PKM (0.71) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL28522897 0.80 ALDH1A1 (0.68) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL3824365 0.79 CHRNB2 (0.76) ALDH1A1CYP3A4CYP2D6CYP2C19GAA
SCHEMBL3822135 0.79 ALDH1A1 (0.68) PKMNPC1PKLRRAB9AALDH1A1
SCHEMBL14164279 0.78 PKM (0.61) PKMRAB9AALDH1A1GAASMN1; SMN2

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 4 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
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 PKM 1047/4885NPC1 15/4885PKLR 2799/4885

“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.