SCHEMBL3022136

SCHEMBL3022136

COc1cc(-c2csc(N3CCN(S(=O)(=O)c4ccc(Br)cc4Cl)CC3)n2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.54
ALDH1A1 P00352 4/20 0.54
GAA P10253 2/20 0.54
MAPT P10636 6/20 0.47
RECQL P46063 2/20 0.47
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.44
RAB9A P51151 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.41
NTSR1 P30989 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40

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
SCHEMBL3013634 0.91 SMN1; SMN2 (0.56) MAPK1ALDH1A1GAAMAPTRECQL
SCHEMBL3015847 0.91 GAA (0.56) MAPK1ALDH1A1GAAMAPTRECQL
SCHEMBL3009920 0.91 ALDH1A1 (0.56) MAPK1ALDH1A1GAAMAPTRECQL
SCHEMBL3013056 0.89 MAPT (0.55) MAPK1ALDH1A1GAAMAPTRECQL
SCHEMBL3004360 0.89 MAPT (0.54) MAPK1ALDH1A1GAAMAPTRECQL
SCHEMBL3020375 0.88 ALDH1A1 (0.57) MAPK1ALDH1A1GAAMAPTRECQL
SCHEMBL3012787 0.87 POLB (0.56) MAPK1ALDH1A1MAPTRECQLUSP2
SCHEMBL3009711 0.87 MAPT (0.58) MAPK1ALDH1A1GAAMAPTRECQL
SCHEMBL3016892 0.87 MAPK1 (0.52) MAPK1ALDH1A1GAAMAPTRECQL
SCHEMBL3648788 0.86 SMN1; SMN2 (0.47) MAPK1ALDH1A1MAPTRECQLUSP2

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 MAPK1 2767/4885ALDH1A1 3510/4885GAA 110/4885

“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.