SCHEMBL3021980

SCHEMBL3021980

O=S(=O)(c1ccc(F)c(Cl)c1)C1CCN(c2nc(Cc3ccc(Cl)cc3Cl)cs2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.45
HTR2A P28223 4/20 0.42
HTR2C P28335 4/20 0.42
KCNH2 Q12809 4/20 0.42
DRD2 P14416 2/20 0.42
GAA P10253 1/20 0.36
AR P10275 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
CYP19A1 P11511 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SOS1 Q07889 2/20 0.34
RAB9A P51151 1/20 0.34
SCN1A P35498 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
CA2 P00918 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
SCHEMBL3001134 0.93 EPHX2 (0.42) EPHX2HTR2AHTR2CKCNH2DRD2
SCHEMBL3008061 0.92 EPHX2 (0.55) EPHX2HTR2AHTR2CKCNH2DRD2
SCHEMBL3003808 0.91 EPHX2 (0.46) EPHX2HTR2AHTR2CKCNH2DRD2
SCHEMBL3018344 0.90 HTR2A (0.41) EPHX2HTR2AHTR2CKCNH2DRD2
SCHEMBL3018929 0.89 EPHX2 (0.42) EPHX2HTR2AHTR2CKCNH2DRD2
SCHEMBL3014120 0.89 EPHX2 (0.44) EPHX2HTR2AHTR2CKCNH2DRD2
SCHEMBL3010140 0.89 RAB9A (0.41) EPHX2HTR2AHTR2CKCNH2DRD2
SCHEMBL3009255 0.89 HTR2A (0.37) EPHX2HTR2AHTR2CKCNH2DRD2
SCHEMBL3008157 0.89 HTR2A (0.37) EPHX2HTR2AHTR2CKCNH2DRD2
SCHEMBL3014243 0.88 EPHX2 (0.44) EPHX2HTR2AHTR2CKCNH2DRD2

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 EPHX2 4409/4885HTR2A 752/4885HTR2C 1153/4885

“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.