SCHEMBL3017986

SCHEMBL3017986

COc1ccc(OC)c(S(=O)(=O)N2CCN(c3nc(Cc4cc(C)ccc4C)cs3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPT P10636 1/20 0.55
RECQL P46063 1/20 0.55
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
USP2 O75604 2/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL3019573 0.93 MAPK1 (0.46) ALDH1A1MAPTRECQLMAPK1L3MBTL1
SCHEMBL3012559 0.91 MAPT (0.49) ALDH1A1MAPTRECQLMAPK1USP2
SCHEMBL3019492 0.91 GAA (0.48) ALDH1A1MAPTRECQLMAPK1L3MBTL1
SCHEMBL3006233 0.90 ALDH1A1 (0.61) ALDH1A1MAPTRECQLMAPK1L3MBTL1
SCHEMBL3012014 0.89 ALDH1A1 (0.56) ALDH1A1MAPTRECQLMAPK1L3MBTL1
SCHEMBL3011303 0.89 ALDH1A1 (0.55) ALDH1A1MAPTRECQLMAPK1L3MBTL1
SCHEMBL3014595 0.88 ALDH1A1 (0.55) ALDH1A1MAPTRECQLMAPK1L3MBTL1
SCHEMBL3013337 0.88 ALDH1A1 (0.56) ALDH1A1MAPTRECQLMAPK1L3MBTL1
SCHEMBL3010426 0.87 ALDH1A1 (0.61) ALDH1A1MAPTRECQLMAPK1L3MBTL1
SCHEMBL3001359 0.87 ALDH1A1 (0.56) ALDH1A1MAPTRECQLMAPK1L3MBTL1

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 ALDH1A1 3510/4885MAPT 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.