SCHEMBL3021582

SCHEMBL3021582

O=S(=O)(c1c(F)cccc1F)C1CCN(c2nc(Cc3ccc(F)c(Cl)c3)cs2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.40
PKLR P30613 2/20 0.40
AR P10275 2/20 0.39
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.34
SOS1 Q07889 3/20 0.34
CXCR2 P25025 3/20 0.33
CLPP Q16740 1/20 0.33
CTSS P25774 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL3020856 0.94 PKM (0.40) PKMPKLRARRAB9ASMN1; SMN2
SCHEMBL3011131 0.93 PKM (0.38) PKMPKLRARRAB9ASMN1; SMN2
SCHEMBL3017002 0.92 MAPT (0.35) ARRAB9ASMN1; SMN2NPC1GAA
SCHEMBL3001952 0.92 AR (0.39) PKMPKLRARRAB9ASMN1; SMN2
SCHEMBL3007273 0.92 AR (0.39) PKMPKLRARRAB9ASMN1; SMN2
SCHEMBL3022973 0.92 AR (0.39) PKMPKLRARRAB9ASMN1; SMN2
SCHEMBL3017451 0.89 RAB9A (0.38) PKMPKLRRAB9ASMN1; SMN2NPC1
SCHEMBL3009255 0.89 HTR2A (0.37) PKMPKLRRAB9ASMN1; SMN2NPC1
SCHEMBL3017605 0.89 MAPT (0.35) ARRAB9ASMN1; SMN2NPC1GAA
SCHEMBL3014605 0.88 SOS1 (0.38) ARMAPTSOS1TRPV1

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 PKM 1047/4885PKLR 2799/4885AR 3801/4885

“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.