SCHEMBL3018013

SCHEMBL3018013

O=S(=O)(c1cccc(Cl)c1Cl)C1CCN(c2nc(Cc3cc(Cl)cc(Cl)c3)cs2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.44
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
PTPN11 Q06124 2/20 0.33
ACLY P53396 1/20 0.33
NPC1 O15118 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
SCHEMBL3015733 0.95 CTSS (0.40) CTSSRAB9ASMN1; SMN2AURKAAURKB
SCHEMBL3005413 0.92 CTSS (0.44) CTSSRAB9ASMN1; SMN2AURKAAURKB
SCHEMBL2997798 0.92 CTSS (0.43) CTSSRAB9ASMN1; SMN2GAAMAPT
SCHEMBL3015090 0.92 CTSS (0.42) CTSSRAB9ASMN1; SMN2AURKAAURKB
SCHEMBL3001192 0.92 CTSS (0.42) CTSSRAB9ASMN1; SMN2AURKAAURKB
SCHEMBL2998477 0.91 CTSS (0.44) CTSSRAB9ASMN1; SMN2AURKAAURKB
SCHEMBL3014934 0.91 CTSS (0.42) CTSSRAB9ASMN1; SMN2AURKAAURKB
SCHEMBL3009589 0.90 CTSS (0.41) CTSSRAB9ASMN1; SMN2AURKAAURKB
SCHEMBL3011082 0.90 CTSS (0.41) CTSSRAB9ASMN1; SMN2AURKAAURKB
SCHEMBL3012307 0.90 CTSS (0.42) CTSSRAB9ASMN1; SMN2AURKAAURKB

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 106/4885RAB9A 2943/4885SMN1; SMN2 1/4885

“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.