SCHEMBL3015950

SCHEMBL3015950

COc1cccc(Cc2csc(N3CCC(S(=O)(=O)c4cc(Br)ccc4OC)CC3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.39
DRD4 P21917 5/20 0.39
DRD3 P35462 5/20 0.39
HSD17B10 Q99714 5/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
PTPRB P23467 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 2/20 0.37
REV1 Q9UBZ9 1/20 0.36
GAA P10253 1/20 0.36
USP2 O75604 1/20 0.36
RECQL P46063 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
NMT1 P30419 1/20 0.36

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
SCHEMBL3004621 0.95 DRD2 (0.41) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL3019551 0.94 ALDH1A1 (0.41) DRD2DRD4DRD3HSD17B10MAPT
SCHEMBL3013336 0.93 ALDH1A1 (0.43) HSD17B10MAPTALDH1A1LMNAHPGD
SCHEMBL3015773 0.93 GAA (0.38) DRD2DRD4DRD3HSD17B10MAPT
SCHEMBL3016703 0.92 DRD2 (0.39) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL3007655 0.92 DRD2 (0.45) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL3014666 0.91 ALDH1A1 (0.41) DRD2DRD4DRD3HSD17B10MAPT
SCHEMBL15671703 0.90 MAPT (0.40) HSD17B10MAPTALDH1A1LMNAHPGD
SCHEMBL3013312 0.90 GAA (0.39) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL3004553 0.89 MAPT (0.40) DRD2DRD4DRD3HSD17B10MAPT

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 DRD2 573/4885DRD4 1124/4885DRD3 682/4885

“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.