SCHEMBL3002808

SCHEMBL3002808

CCCc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(CBr)cc4)CC3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.35
HTR2C P28335 2/20 0.35
KCNH2 Q12809 2/20 0.35
ADAMTS5 Q9UNA0 3/20 0.34
AOC3 Q16853 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
GBA1 P04062 1/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP13 P45452 1/20 0.33
ADAM17 P78536 1/20 0.33
NAMPT P43490 1/20 0.33
KIT P10721 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
SCHEMBL3006927 0.92 RAB9A (0.37) HTR2AHTR2CKCNH2ADAMTS5AOC3
SCHEMBL3013175 0.92 HRH3 (0.34) HTR2AHTR2CKCNH2HRH3GBA1
SCHEMBL3003387 0.91 GBA1 (0.41) HTR2AHTR2CKCNH2ADAMTS5AOC3
SCHEMBL3016706 0.90 MAPT (0.37) HTR2AHTR2CKCNH2
SCHEMBL3017562 0.90 SMN1; SMN2 (0.39) HTR2AHTR2CKCNH2HRH3
SCHEMBL3015039 0.90 GBA1 (0.42) HTR2AHRH3GBA1NAMPT
SCHEMBL3009833 0.89 HTR2A (0.43) HTR2AHTR2CKCNH2GBA1NAMPT
SCHEMBL3015108 0.89 AOC3 (0.35) HTR2AHTR2CKCNH2ADAMTS5AOC3
SCHEMBL3008320 0.88 MAPT (0.39) HTR2AHTR2CKCNH2HRH3GBA1
SCHEMBL3016548 0.88 KMT2A (0.38) HRH3

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 HTR2A 752/4885HTR2C 1153/4885KCNH2 3130/4885

“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.