SCHEMBL3012844

SCHEMBL3012844

COc1ccc(-c2csc(N3CCN(S(=O)(=O)c4c(F)c(F)c(F)c(F)c4F)CC3)n2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.61
MAPT P10636 7/20 0.61
RAB9A P51151 5/20 0.61
NPC1 O15118 3/20 0.61
RECQL P46063 2/20 0.57
HSD17B10 Q99714 2/20 0.57
USP2 O75604 1/20 0.57
ALDH1A1 P00352 4/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MAPK1 P28482 5/20 0.53
TDP1 Q9NUW8 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NTSR1 P30989 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 2/20 0.51
HTT P42858 2/20 0.51
TNF P01375 1/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL3016076 0.90 MAPT (0.60) SMN1; SMN2MAPTRAB9ANPC1RECQL
SCHEMBL3015586 0.89 MAPK1 (0.60) SMN1; SMN2MAPTRAB9ANPC1RECQL
SCHEMBL3012138 0.87 MAPT (0.53) SMN1; SMN2MAPTRAB9ANPC1RECQL
SCHEMBL3011273 0.87 SMN1; SMN2 (0.60) SMN1; SMN2MAPTRAB9ANPC1RECQL
SCHEMBL3011657 0.87 SMN1; SMN2 (0.75) SMN1; SMN2MAPTRAB9ANPC1RECQL
SCHEMBL3016532 0.87 SMN1; SMN2 (0.60) SMN1; SMN2MAPTRAB9ANPC1RECQL
SCHEMBL3002428 0.87 SMN1; SMN2 (0.64) SMN1; SMN2MAPTRAB9ANPC1RECQL
SCHEMBL3020078 0.87 ALDH1A1 (0.61) SMN1; SMN2MAPTRAB9ANPC1RECQL
SCHEMBL3647322 0.86 MAPK1 (0.51) SMN1; SMN2MAPTRAB9ANPC1RECQL
SCHEMBL3020071 0.85 MAPT (0.78) SMN1; SMN2MAPTRECQLHSD17B10USP2

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 SMN1; SMN2 1/4885MAPT 18/4885RAB9A 2943/4885

“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.