SCHEMBL3010716

SCHEMBL3010716

COc1cc(Cc2csc(N3CCN(S(=O)(=O)c4cc(F)ccc4C)CC3)n2)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
MAPT P10636 3/20 0.43
USP2 O75604 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.41
PKM P14618 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
RAB9A P51151 1/20 0.40
TNF P01375 1/20 0.39
NOD1 Q9Y239 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
SCHEMBL3017998 0.91 TSHR (0.46) TSHRMAPTUSP2RECQLHSD17B10
SCHEMBL3010662 0.90 TSHR (0.44) TSHRMAPTUSP2RECQLHSD17B10
SCHEMBL3000530 0.90 MAPT (0.43) TSHRMAPTUSP2RECQLHSD17B10
SCHEMBL3014876 0.90 MAPT (0.48) TSHRMAPTUSP2RECQLHSD17B10
SCHEMBL3002271 0.88 ALDH1A1 (0.44) TSHRMAPTUSP2RECQLHSD17B10
SCHEMBL3010761 0.88 MAPT (0.48) TSHRMAPTUSP2RECQLHSD17B10
SCHEMBL3007158 0.88 MAPT (0.56) MAPTUSP2RECQLHSD17B10ALDH1A1
SCHEMBL3015631 0.87 CNR1 (0.45) TSHRMAPTUSP2RECQLHSD17B10
SCHEMBL3019053 0.87 MAPT (0.45) TSHRMAPTUSP2RECQLHSD17B10
SCHEMBL3013021 0.86 AR (0.39) MAPTUSP2RECQLHSD17B10ALDH1A1

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 5 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
EP-2188272-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV Remynd (BE) 2010-05-26 EP 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 TSHR 3320/4885MAPT 18/4885USP2 1831/4885

“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.