SCHEMBL3018818

SCHEMBL3018818

COc1cc(Cc2csc(N3CCC(S(=O)(=O)c4ccccc4Br)CC3)n2)cc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
CTSS P25774 1/20 0.39
ATM Q13315 1/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
F2RL3 Q96RI0 8/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
F2 P00734 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
SCHEMBL3011673 0.93 MAPT (0.42) TDP1CTSSMAPTL3MBTL1ALDH1A1
SCHEMBL3015110 0.92 L3MBTL1 (0.43) TDP1CTSSMAPTL3MBTL1ALDH1A1
SCHEMBL3017583 0.90 CTSS (0.38) CTSSMAPTF2RL3ALDH1A1LMNA
SCHEMBL3010750 0.89 CTSS (0.40) CTSSMAPTF2RL3ALDH1A1LMNA
SCHEMBL3006226 0.88 CTSS (0.40) CTSSLMNA
SCHEMBL3017061 0.88 CTSS (0.38) TDP1CTSSMAPTL3MBTL1RAB9A
SCHEMBL3013730 0.87 CTSS (0.41) CTSSMAPTL3MBTL1LMNARAB9A
SCHEMBL3015476 0.87 DRD2 (0.40) CTSSMAPTF2RL3ALDH1A1LMNA
SCHEMBL3010917 0.87 CTSS (0.43) CTSSMAPTL3MBTL1
SCHEMBL3014642 0.87 CTSS (0.43) CTSSMAPTLMNAHPGDRAB9A

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 TDP1 86/4885CTSS 106/4885ATM 1756/4885

“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.