SCHEMBL3014906

SCHEMBL3014906

O=S(=O)(c1ccc(F)cc1Cl)C1CCN(c2nc(Cc3ccc(Cl)cc3Cl)cs2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.45
EPHX2 P34913 3/20 0.42
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
KCNH2 Q12809 2/20 0.39
DRD2 P14416 1/20 0.39
GAA P10253 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
NAAA Q02083 3/20 0.35
AR P10275 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL3006778 0.94 GAA (0.39) CTSSEPHX2GAAARMAPT
SCHEMBL3017754 0.94 HTR2A (0.43) CTSSEPHX2HTR2AHTR2CKCNH2
SCHEMBL3013143 0.90 EPHX2 (0.41) CTSSEPHX2HTR2AHTR2CKCNH2
SCHEMBL3003446 0.90 CTSS (0.46) CTSSHTR2AHTR2CKCNH2DRD2
SCHEMBL3001996 0.89 GRM2 (0.37) CTSSEPHX2GAAARMAPT
SCHEMBL3013842 0.89 CTSS (0.47) CTSSHTR2AHTR2CKCNH2DRD2
SCHEMBL3008061 0.89 EPHX2 (0.55) EPHX2HTR2AHTR2CKCNH2DRD2
SCHEMBL3016019 0.88 CTSS (0.40) CTSSEPHX2HTR2AHTR2CKCNH2
SCHEMBL3016099 0.88 CTSS (0.42) CTSSEPHX2GAAARMAPT
SCHEMBL3000548 0.88 GAA (0.38) EPHX2GAAARALDH1A1MAPT

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 CTSS 106/4885EPHX2 4409/4885HTR2A 752/4885

“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.