SCHEMBL3010789

SCHEMBL3010789

O=S(=O)(c1ccc(F)cc1F)C1CCN(c2nc(Cc3ccc(Cl)cc3)cs2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
KCNH2 Q12809 3/20 0.42
DRD2 P14416 2/20 0.42
SCN9A Q15858 1/20 0.40
CTSS P25774 4/20 0.38
LMNA P02545 1/20 0.38
GPR6 P46095 1/20 0.38
NAAA Q02083 4/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.35
CNR1 P21554 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TBXA2R P21731 1/20 0.34

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
SCHEMBL3017428 0.94 CTSS (0.39) HTR2AHTR2CKCNH2DRD2SCN9A
SCHEMBL3004614 0.93 CTSS (0.39) HTR2AHTR2CKCNH2DRD2SCN9A
SCHEMBL3003446 0.93 CTSS (0.46) HTR2AHTR2CKCNH2DRD2SCN9A
SCHEMBL3001195 0.92 LMNA (0.39) HTR2AHTR2CKCNH2DRD2CTSS
SCHEMBL3005426 0.91 CTSS (0.39) HTR2AHTR2CKCNH2DRD2SCN9A
SCHEMBL3016919 0.91 CTSS (0.37) HTR2AHTR2CKCNH2DRD2SCN9A
SCHEMBL3003667 0.91 CTSS (0.39) HTR2AHTR2CKCNH2DRD2CTSS
SCHEMBL3006571 0.91 GPR6 (0.39) HTR2AHTR2CKCNH2CTSSLMNA
SCHEMBL3015637 0.91 LMNA (0.38) HTR2AHTR2CKCNH2DRD2CTSS
SCHEMBL3010780 0.91 NAAA (0.41) HTR2AHTR2CKCNH2DRD2CTSS

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 HTR2A 752/4885HTR2C 1153/4885KCNH2 3130/4885

“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.