SCHEMBL3012602

SCHEMBL3012602

N#Cc1ccccc1S(=O)(=O)C1CCN(c2nc(Cc3ccc(Cl)cc3Cl)cs2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
DRD2 P14416 1/20 0.45
KCNH2 Q12809 1/20 0.45
CTSS P25774 10/20 0.41
EPHX2 P34913 3/20 0.37
CYP3A4 P08684 1/20 0.35
DPP4 P27487 1/20 0.35
FBP1 P09467 1/20 0.35
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL3016099 0.89 CTSS (0.42) CTSSEPHX2GAARAB9ASMN1; SMN2
SCHEMBL3005425 0.89 DRD2 (0.42) HTR2AHTR2CDRD2KCNH2CTSS
SCHEMBL3023449 0.89 DRD2 (0.41) HTR2AHTR2CDRD2KCNH2CTSS
SCHEMBL3016082 0.87 ALDH1A1 (0.45) HTR2AHTR2CGAASMN1; SMN2
SCHEMBL3017329 0.87 EPHX2 (0.44) CTSSEPHX2GAARAB9ASMN1; SMN2
SCHEMBL3006778 0.86 GAA (0.39) CTSSEPHX2GAARAB9ASMN1; SMN2
SCHEMBL3010017 0.86 DRD2 (0.41) HTR2AHTR2CDRD2KCNH2CTSS
SCHEMBL3013659 0.86 CTSS (0.42) CTSSEPHX2GAARAB9ASMN1; SMN2
SCHEMBL3012908 0.86 HTR2A (0.45) HTR2AHTR2CDRD2KCNH2CTSS
SCHEMBL3000548 0.85 GAA (0.38) EPHX2GAARAB9ASMN1; SMN2

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 1153/4885DRD2 573/4885

“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.