SCHEMBL3001996

SCHEMBL3001996

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.37
GRM3 Q14832 2/20 0.37
GAA P10253 1/20 0.36
EPHX2 P34913 2/20 0.35
AR P10275 1/20 0.35
CTSS P25774 7/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 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
SCHEMBL3006778 0.94 GAA (0.39) GRM2GRM3GAAEPHX2AR
SCHEMBL3013818 0.90 MAPT (0.36) GAACTSSMAPTRAB9ASMN1; SMN2
SCHEMBL3014906 0.89 CTSS (0.45) GAAEPHX2ARCTSSMAPT
SCHEMBL3002528 0.89 CTSS (0.35) GAACTSSMAPTRAB9ASMN1; SMN2
SCHEMBL3007766 0.89 EPHX2 (0.44) GRM2GRM3GAAEPHX2AR
SCHEMBL3007871 0.88 CTSS (0.37) GAAARCTSSMAPTRAB9A
SCHEMBL3007295 0.88 GAA (0.38) GRM2GRM3GAAMAPTRAB9A
SCHEMBL3016099 0.88 CTSS (0.42) GAAEPHX2ARCTSSMAPT
SCHEMBL3000548 0.88 GAA (0.38) GRM2GRM3GAAEPHX2AR
SCHEMBL3017329 0.87 EPHX2 (0.44) GRM2GRM3GAAEPHX2AR

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 GRM2 3162/4885GRM3 3143/4885GAA 110/4885

“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.