SCHEMBL3014445

SCHEMBL3014445

O=S(=O)(c1cccc(C(F)(F)F)c1)C1CCN(c2nc(Cc3ccccc3)cs2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.47
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
AR P10275 1/20 0.40
HTR2A P28223 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
KCNH2 Q12809 2/20 0.38
HTR2C P28335 1/20 0.38
GBA1 P04062 2/20 0.38
ELOVL6 Q9H5J4 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3003666 0.92 CTSS (0.45) CTSSKDM4EMAPTHTTAR
SCHEMBL3006763 0.92 CTSS (0.45) CTSSKDM4EMAPTARNPC1
SCHEMBL3013043 0.92 CTSS (0.45) CTSSKDM4EMAPTARNPC1
SCHEMBL3017915 0.92 CTSS (0.45) CTSSKDM4EMAPTHTTAR
SCHEMBL3000710 0.91 CTSS (0.45) CTSSKDM4EMAPTARNPC1
SCHEMBL3019531 0.91 CTSS (0.46) CTSSKDM4EMAPTHTTAR
SCHEMBL3003290 0.91 CTSS (0.46) CTSSKDM4EMAPTHTTAR
SCHEMBL3013248 0.90 CTSS (0.44) CTSSKDM4EMAPTARNPC1
SCHEMBL3005492 0.90 CTSS (0.45) CTSSKDM4EMAPTARNPC1
SCHEMBL3015619 0.90 MAPT (0.47) CTSSKDM4EMAPTHTR2AADORA2A

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 CTSS 106/4885KDM4E 4398/4885MAPT 18/4885

“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.