SCHEMBL3005891

SCHEMBL3005891

COc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cc(C)ccc4C)cs3)CC2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.53
MAPT P10636 5/20 0.49
RECQL P46063 2/20 0.49
USP2 O75604 2/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPK1 P28482 1/20 0.48
MCOLN3 Q8TDD5 1/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.45
REV1 Q9UBZ9 1/20 0.45
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL3016127 0.93 MAPK1 (0.56) ARMAPTRECQLUSP2HSD17B10
SCHEMBL3014233 0.90 MAPT (0.54) MAPTRECQLUSP2HSD17B10MAPK1
SCHEMBL3011444 0.89 MAPT (0.53) ARMAPTRECQLUSP2HSD17B10
SCHEMBL3007277 0.88 MAPT (0.55) MAPTRECQLUSP2HSD17B10MAPK1
SCHEMBL3010407 0.88 REV1 (0.57) ARMAPTRECQLUSP2HSD17B10
SCHEMBL3005418 0.87 MAPT (0.50) MAPTRECQLUSP2HSD17B10MAPK1
SCHEMBL3014274 0.87 MAPT (0.58) ARMAPTRECQLUSP2HSD17B10
SCHEMBL3014620 0.86 MAPT (0.52) MAPTRECQLUSP2HSD17B10MAPK1
SCHEMBL3013335 0.86 MAPT (0.56) MAPTRECQLUSP2HSD17B10MAPK1
SCHEMBL3014451 0.86 MAPT (0.55) MAPTRECQLUSP2HSD17B10MAPK1

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 AR 3801/4885MAPT 18/4885RECQL 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.