SCHEMBL3018945

SCHEMBL3018945

O=S(=O)(c1ccccc1C(F)(F)F)C1CCN(c2nc(-c3cccc(Br)c3)cs2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.49
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
AR P10275 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL3009173 0.90 MEN1 (0.52) CTSSRAB9ANPC1ARL3MBTL1
SCHEMBL3017724 0.89 CTSS (0.49) CTSSRAB9ANPC1ARL3MBTL1
SCHEMBL3016290 0.88 SMN1; SMN2 (0.46) CTSSRAB9ANPC1ARL3MBTL1
SCHEMBL3009618 0.87 MAPT (0.55) CTSSSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3013619 0.86 CTSS (0.47) CTSSRAB9ANPC1ARL3MBTL1
SCHEMBL3014477 0.86 SMN1; SMN2 (0.52) CTSSRAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL3011418 0.86 CTSS (0.48) CTSSRAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL3015543 0.86 CTSS (0.48) CTSSRAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL3008583 0.85 AR (0.51) CTSSRAB9ANPC1ARL3MBTL1
SCHEMBL3010184 0.85 CTSS (0.47) CTSSRAB9ANPC1ARL3MBTL1

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 2943/4885NPC1 15/4885

“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.