SCHEMBL3005877

SCHEMBL3005877

COc1cc(-c2csc(N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)n2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
USP2 O75604 1/20 0.56
RECQL P46063 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPK1 P28482 3/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
POLB P06746 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46

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
SCHEMBL3014758 0.91 MAPT (0.55) MAPTUSP2RECQLHSD17B10MAPK1
SCHEMBL3007841 0.91 MAPT (0.58) MAPTUSP2RECQLHSD17B10MAPK1
SCHEMBL3015593 0.89 MAPT (0.65) MAPTUSP2RECQLHSD17B10MAPK1
SCHEMBL3015779 0.89 MAPT (0.65) MAPTUSP2RECQLHSD17B10MAPK1
SCHEMBL3000410 0.89 MAPT (0.59) MAPTUSP2RECQLHSD17B10MAPK1
SCHEMBL3020562 0.88 MAPT (0.72) MAPTUSP2RECQLHSD17B10MAPK1
SCHEMBL3008692 0.88 MAPT (0.58) MAPTUSP2RECQLHSD17B10MAPK1
SCHEMBL3009711 0.88 MAPT (0.58) MAPTUSP2RECQLHSD17B10MAPK1
SCHEMBL3016857 0.88 ALDH1A1 (0.52) MAPTUSP2RECQLHSD17B10MAPK1
SCHEMBL3017145 0.87 ALDH1A1 (0.59) MAPTUSP2RECQLHSD17B10MAPK1

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 MAPT 18/4885USP2 1831/4885RECQL 1564/4885

“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.