SCHEMBL3006580

SCHEMBL3006580

O=S(=O)(c1ccc(OC(F)(F)F)cc1)C1CCN(c2nc(-c3cccc(Br)c3)cs2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
NPC1 O15118 4/20 0.47
MAPT P10636 3/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 9/20 0.43
AR P10275 1/20 0.42
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
CDC25A P30304 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MMP2 P08253 1/20 0.39

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
SCHEMBL3020525 0.90 RAB9A (0.49) RAB9ANPC1MAPTHSD17B10USP2
SCHEMBL3014219 0.89 MAPT (0.49) RAB9ANPC1MAPTHSD17B10USP2
SCHEMBL3001854 0.89 MAPT (0.59) RAB9ANPC1MAPTHSD17B10USP2
SCHEMBL3017544 0.88 MAPT (0.54) RAB9ANPC1MAPTHSD17B10USP2
SCHEMBL3008228 0.88 SMN1; SMN2 (0.51) RAB9ANPC1MAPTHSD17B10USP2
SCHEMBL3012425 0.87 MAPT (0.54) RAB9ANPC1MAPTHSD17B10USP2
SCHEMBL3003827 0.86 SMN1; SMN2 (0.44) RAB9ANPC1MAPTHSD17B10USP2
SCHEMBL3016357 0.86 MAPT (0.62) RAB9ANPC1MAPTHSD17B10USP2
SCHEMBL3019207 0.85 SMN1; SMN2 (0.45) RAB9ANPC1MAPTHSD17B10USP2
SCHEMBL3015050 0.85 SMN1; SMN2 (0.44) RAB9ANPC1MAPTHSD17B10USP2

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 RAB9A 2943/4885NPC1 15/4885MAPT 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.