SCHEMBL3014934

SCHEMBL3014934

O=S(=O)(c1cccc(Cl)c1Cl)C1CCN(c2nc(Cc3ccc(Cl)c(Cl)c3)cs2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.42
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AR P10275 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL3009939 0.93 CTSS (0.42) CTSSLMNAL3MBTL1ARRAB9A
SCHEMBL3011082 0.92 CTSS (0.41) CTSSLMNAARRAB9ASMN1; SMN2
SCHEMBL3012060 0.92 CTSS (0.41) CTSSLMNARAB9ASMN1; SMN2AURKA
SCHEMBL3005413 0.91 CTSS (0.44) CTSSRAB9ASMN1; SMN2AURKAAURKB
SCHEMBL3018013 0.91 CTSS (0.44) CTSSRAB9ASMN1; SMN2AURKAAURKB
SCHEMBL3009589 0.90 CTSS (0.41) CTSSLMNARAB9ASMN1; SMN2AURKA
SCHEMBL3005760 0.90 CTSS (0.41) CTSSRAB9ASMN1; SMN2AURKAAURKB
SCHEMBL3012307 0.90 CTSS (0.42) CTSSRAB9ASMN1; SMN2AURKAAURKB
SCHEMBL2998477 0.90 CTSS (0.44) CTSSLMNARAB9ASMN1; SMN2AURKA
SCHEMBL3018035 0.89 CTSS (0.41) CTSSLMNARAB9ASMN1; SMN2AURKA

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 106/4885LMNA 80/4885L3MBTL1 1847/4885

“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.