SCHEMBL6324353

SCHEMBL6324353

CC(CO)N(CCN1CCCCC1)S(=O)(=O)c1ccc(-c2cccs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
SIGMAR1 Q99720 3/20 0.42
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SRC P12931 2/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MMP3 P08254 1/20 0.37
MMP2 P08253 2/20 0.37
MMP13 P45452 2/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL6324360 0.76 SIGMAR1 (0.42) HRH3SIGMAR1SRCPSEN1PSEN2
SCHEMBL6407534 0.76 CA12 (0.45) MMP2CA12CA9CA1CA2
SCHEMBL6324033 0.76 HRH3 (0.50) KCNH2HRH3SLC6A2SLC6A3MMP13
SCHEMBL6330648 0.74 HRH3 (0.49) KCNH2HRH3SLC6A2SLC6A3HRH2
SCHEMBL4273445 0.68 SIGMAR1 (0.69) SIGMAR1SRCPSEN1PSEN2APH1B
SCHEMBL6326033 0.67 MMP2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6794520 0.67 MMP2 (0.49) HRH3SIGMAR1MMP3MMP2MMP13
SCHEMBL6324715 0.67 CA12 (0.42) MMP2CA12CA9CA1CA2
SCHEMBL6768136 0.66 SIGMAR1 (0.42) SIGMAR1SRCPSEN1PSEN2APH1B
SCHEMBL6325872 0.66 THRB (0.50) PSEN1PSEN2APH1BNCSTNAPH1A

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-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors PHARMACIA CORPORATION 2005-01-20 US disclosed
US-6747027-B1 SELECTIVELY INHIBITS IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-13 OVER IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-1 PHARMACIA CORPORATION 2004-06-08 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-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors MMP12, MMP13, MMP3 KCNH2 4723/4885HRH3 3798/4885SIGMAR1 4322/4885

“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.