SCHEMBL3006097

SCHEMBL3006097

COc1ccc(Br)cc1S(=O)(=O)C1CCN(c2nc(Cc3ccc(C)c(C)c3)cs2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
ALOX15 P16050 1/20 0.38
DRD2 P14416 6/20 0.36
DRD4 P21917 5/20 0.36
DRD3 P35462 5/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PPARG P37231 1/20 0.35
GFER P55789 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
HTT P42858 1/20 0.34
F2RL3 Q96RI0 4/20 0.34
TSHR P16473 2/20 0.33
GLA P06280 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL3013312 0.92 GAA (0.39) GAAALOX15DRD2DRD4DRD3
SCHEMBL3019945 0.92 GAA (0.39) GAAALOX15DRD2DRD4DRD3
SCHEMBL3000596 0.91 ALDH1A1 (0.42) GAAALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3004621 0.91 DRD2 (0.41) GAAALOX15DRD2DRD4DRD3
SCHEMBL3016811 0.90 MAPK1 (0.38) ALDH1A1LMNAMAPTPPARGSMN1; SMN2
SCHEMBL3010620 0.90 GAA (0.38) GAAALOX15DRD2DRD4DRD3
SCHEMBL3000603 0.90 GAA (0.39) GAAALOX15DRD2DRD4DRD3
SCHEMBL3014666 0.90 ALDH1A1 (0.41) GAAALOX15DRD2DRD4DRD3
SCHEMBL3009617 0.89 GAA (0.36) GAAALOX15DRD2DRD4DRD3
SCHEMBL3019234 0.89 ERBB2 (0.40) 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.