SCHEMBL3022162

SCHEMBL3022162

O=S(=O)(c1ccc(F)cc1)C1CCN(c2nc(Cc3cc(Cl)cc(Cl)c3)cs2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.42
HTR2C P28335 6/20 0.42
KCNH2 Q12809 6/20 0.42
DRD2 P14416 2/20 0.42
EPHX2 P34913 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GPR6 P46095 2/20 0.37
MAPK1 P28482 1/20 0.37
ALOX5 P09917 1/20 0.36
USP2 O75604 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC13A5 Q86YT5 1/20 0.35
CTSS P25774 1/20 0.35

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
SCHEMBL3012543 0.97 HTR2A (0.41) HTR2AHTR2CKCNH2DRD2EPHX2
SCHEMBL3011143 0.93 HTR2A (0.43) HTR2AHTR2CKCNH2DRD2EPHX2
SCHEMBL3010926 0.93 MAPT (0.40) HTR2AHTR2CKCNH2DRD2EPHX2
SCHEMBL3021897 0.92 HTR2A (0.45) HTR2AHTR2CKCNH2DRD2EPHX2
SCHEMBL3020046 0.92 HTR2A (0.42) HTR2AHTR2CKCNH2DRD2EPHX2
SCHEMBL3015772 0.91 HTR2A (0.44) HTR2AHTR2CKCNH2DRD2EPHX2
SCHEMBL3006901 0.91 GBA1 (0.39) HTR2AHTR2CKCNH2DRD2EPHX2
SCHEMBL3019381 0.91 HTR2A (0.37) HTR2AHTR2CKCNH2DRD2EPHX2
SCHEMBL3021363 0.91 HTR2A (0.42) HTR2AHTR2CKCNH2DRD2EPHX2
SCHEMBL3008157 0.90 HTR2A (0.37) HTR2AHTR2CKCNH2DRD2EPHX2

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.