SCHEMBL3012540

SCHEMBL3012540

COc1ccc(Br)cc1S(=O)(=O)C1CCN(c2nc(Cc3cc(C)ccc3C)cs2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
DRD2 P14416 3/20 0.35
DRD4 P21917 3/20 0.35
DRD3 P35462 3/20 0.35
TP53 P04637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PPARG P37231 1/20 0.34
GFER P55789 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 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
SCHEMBL3017679 0.91 DRD2 (0.39) GAAALOX15DRD2DRD4DRD3
SCHEMBL3016935 0.91 L3MBTL1 (0.41) GAATSHRMAPK1ALDH1A1LMNA
SCHEMBL3016068 0.91 MAPK1 (0.38) GAATSHRMAPK1TP53ALDH1A1
SCHEMBL3019945 0.89 GAA (0.39) GAAALOX15TSHRMAPK1DRD2
SCHEMBL3013953 0.88 GAA (0.39) GAAALOX15TSHRDRD2DRD4
SCHEMBL3017903 0.88 PKM (0.37) GAAALOX15DRD2DRD4DRD3
SCHEMBL3006097 0.88 GAA (0.38) GAAALOX15TSHRDRD2DRD4
SCHEMBL3000603 0.87 GAA (0.39) GAAALOX15TSHRDRD2DRD4
SCHEMBL3015530 0.87 DRD2 (0.40) GAAALOX15DRD2DRD4DRD3
SCHEMBL3016703 0.87 DRD2 (0.39) 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 2079/4885TSHR 3320/4885

“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.