SCHEMBL3008780

SCHEMBL3008780

COc1cc(-c2csc(N3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)n2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPK1 P28482 4/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 3/20 0.51
RECQL P46063 2/20 0.50
HSD17B10 Q99714 2/20 0.50
USP2 O75604 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.46
GBA1 P04062 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NTSR1 P30989 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
KCNQ1 P51787 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
SCHEMBL3648111 0.92 MAPT (0.48) ALDH1A1MAPK1GAAMAPTSMN1; SMN2
SCHEMBL3016326 0.91 MAPT (0.55) ALDH1A1MAPK1GAAMAPTSMN1; SMN2
SCHEMBL3006291 0.89 MAPT (0.58) ALDH1A1MAPK1MAPTSMN1; SMN2KMT2A
SCHEMBL3020375 0.87 ALDH1A1 (0.57) ALDH1A1MAPK1GAAMAPTSMN1; SMN2
SCHEMBL3007753 0.86 MAPT (0.58) ALDH1A1MAPK1MAPTSMN1; SMN2KMT2A
SCHEMBL3012422 0.86 ALDH1A1 (0.56) ALDH1A1MAPK1GAAMAPTSMN1; SMN2
SCHEMBL3017437 0.86 KMT2A (0.51) ALDH1A1MAPK1GAAMAPTSMN1; SMN2
SCHEMBL3009766 0.86 KMT2A (0.55) ALDH1A1MAPK1MAPTSMN1; SMN2KMT2A
SCHEMBL3012753 0.86 MAPK1 (0.52) ALDH1A1MAPK1GAAMAPTSMN1; SMN2
SCHEMBL3019418 0.86 MAPT (0.69) ALDH1A1MAPK1GAAMAPTSMN1; SMN2

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 3510/4885MAPK1 2767/4885GAA 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.