SCHEMBL3019680

SCHEMBL3019680

O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)C1CCN(c2nc(Cc3ccc(Cl)cc3Cl)cs2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.40
GAA P10253 1/20 0.37
AR P10275 1/20 0.36
MAPT P10636 2/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
FPR2 P25090 2/20 0.33
PROKR1 Q8TCW9 2/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL3009612 0.91 EPHX2 (0.39) EPHX2GAAARMAPTDRD2
SCHEMBL3001149 0.88 EPHX2 (0.36) EPHX2GAAARMAPTDRD2
SCHEMBL3008061 0.88 EPHX2 (0.55) EPHX2GAAARMAPTDRD2
SCHEMBL3006778 0.87 GAA (0.39) EPHX2GAAARMAPTSMN1; SMN2
SCHEMBL3003808 0.87 EPHX2 (0.46) EPHX2GAAARMAPTDRD2
SCHEMBL3015850 0.87 MAPT (0.39) MAPTDRD2HTR2AHTR2CKCNH2
SCHEMBL3018929 0.87 EPHX2 (0.42) EPHX2GAAARMAPTDRD2
SCHEMBL3019215 0.87 GAA (0.36) EPHX2GAAARMAPTSMN1; SMN2
SCHEMBL3021980 0.87 EPHX2 (0.45) EPHX2GAAARMAPTDRD2
SCHEMBL3019449 0.87 EPHX2 (0.43) EPHX2GAAARMAPTSMN1; 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 EPHX2 4409/4885GAA 110/4885AR 3801/4885

“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.