SCHEMBL3004076

SCHEMBL3004076

COc1ccc(S(=O)(=O)C2CCN(c3nc(Cc4ccc(F)c(F)c4)cs3)CC2)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 2/20 0.36
AVPR1B P47901 1/20 0.36
LDHA P00338 1/20 0.35
DRD4 P21917 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GABRA2 P47869 2/20 0.35
PKM P14618 1/20 0.35
AR P10275 1/20 0.35
CACNA1G O43497 2/20 0.35
CACNA1H O95180 2/20 0.35
CACNA1I Q9P0X4 2/20 0.35
MAPK1 P28482 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL3014450 0.93 KDM4E (0.41) KDM4EMAPTTP53RAB9ASMN1; SMN2
SCHEMBL3005904 0.93 ALDH1A1 (0.39) KDM4EMAPTTP53RAB9ASMN1; SMN2
SCHEMBL3008376 0.93 KDM4E (0.37) KDM4EMAPTTP53RAB9ASMN1; SMN2
SCHEMBL3014002 0.91 ALDH1A1 (0.38) KDM4EMAPTTP53RAB9ASMN1; SMN2
SCHEMBL3017082 0.90 GAA (0.40) KDM4EMAPTTP53RAB9ASMN1; SMN2
SCHEMBL3012971 0.90 SMN1; SMN2 (0.41) KDM4EMAPTTP53RAB9ASMN1; SMN2
SCHEMBL3006623 0.90 KDM4E (0.39) KDM4EMAPTTP53RAB9ASMN1; SMN2
SCHEMBL3018931 0.89 KDM4E (0.39) KDM4EMAPTTP53RAB9ASMN1; SMN2
SCHEMBL3002775 0.89 KDM4E (0.40) KDM4EMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL3002803 0.89 KDM4E (0.48) KDM4EMAPTRAB9ASMN1; SMN2NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 4398/4885MAPT 18/4885TP53 2880/4885

“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.