SCHEMBL13616159

SCHEMBL13616159

CC(=O)Nc1ccc(S(=O)(=O)[N+]#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA12 O43570 2/20 0.61
CA9 Q16790 2/20 0.61
MMP1 P03956 1/20 0.59
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
MMP8 P22894 1/20 0.59
MMP13 P45452 1/20 0.59
PKM P14618 2/20 0.57
POLB P06746 2/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
TP53 P04637 1/20 0.54
F2 P00734 2/20 0.53
PRSS1 P07477 2/20 0.53
PRSS2 P07478 2/20 0.53
PRSS3 P35030 2/20 0.53

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
SCHEMBL11597872 0.79 CA1 (0.67) CA1CA2CA12CA9MMP1
Acedapsone SCHEMBL152710 0.79 PKM (0.85) CA1CA2CA12CA9MMP1
Acedapsone SCHEMBL22518385 0.77 PKM (0.82) CA1CA2CA12CA9MMP1
SCHEMBL756792 0.77 CA1 (0.69) CA1CA2CA12CA9MMP1
SCHEMBL8009645 0.77 CA1 (0.69) CA1CA2CA12CA9MMP1
SCHEMBL1102016 0.77 CA1 (0.69) CA1CA2CA12CA9MMP1
Acedapsone SCHEMBL28716352 0.77 PKM (0.82) CA1CA2CA12CA9MMP1
SCHEMBL12916667 0.76 CA1 (0.67) CA1CA2CA12CA9MMP1
SCHEMBL11847210 0.76 CA1 (0.67) CA1CA2CA12CA9MMP1
SCHEMBL11883912 0.76 POLB (0.69) CA1CA2CA12CA9MMP1

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-8080570-B2 α2B and α2C agonists ALLERGAN, INC. (US) 2011-12-20 US disclosed
US-20090275627-A1 ALPHA2B AND ALPHA2C AGONISTS ALLERGAN, INC. (US) 2009-11-05 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-20090275627-A1 ALPHA2B AND ALPHA2C AGONISTS ADRA2B, ADRA2C, ADRB2 CA1 3621/4885CA2 1143/4885CA12 3236/4885

“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.