SCHEMBL3000603

SCHEMBL3000603

COc1ccc(Br)cc1S(=O)(=O)C1CCN(c2nc(Cc3cc(C)cc(C)c3)cs2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
ALOX15 P16050 1/20 0.39
DRD2 P14416 6/20 0.37
DRD4 P21917 5/20 0.37
DRD3 P35462 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
GLA P06280 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PPARG P37231 1/20 0.36
GFER P55789 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL3019945 0.93 GAA (0.39) GAAALOX15DRD2DRD4DRD3
SCHEMBL3016703 0.93 DRD2 (0.39) GAAALOX15DRD2DRD4DRD3
SCHEMBL3019045 0.91 GAA (0.38) GAAALOX15DRD2DRD4DRD3
SCHEMBL3015773 0.91 GAA (0.38) GAAALOX15DRD2DRD4DRD3
SCHEMBL3013140 0.91 DRD2 (0.39) GAAALOX15DRD2DRD4DRD3
SCHEMBL3003617 0.91 GAA (0.37) GAAALOX15DRD2DRD4DRD3
SCHEMBL3013953 0.91 GAA (0.39) GAAALOX15DRD2DRD4DRD3
SCHEMBL3004621 0.90 DRD2 (0.41) GAAALOX15DRD2DRD4DRD3
SCHEMBL3010626 0.90 ALDH1A1 (0.45) GAASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL3007655 0.90 DRD2 (0.45) GAAALOX15DRD2DRD4DRD3

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 GAA 110/4885ALOX15 2079/4885DRD2 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.