SCHEMBL4177589

SCHEMBL4177589

Cc1cccc(S(N)(=O)=O)c1I

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.44
CA9 Q16790 11/20 0.44
CA1 P00915 10/20 0.44
CA12 O43570 6/20 0.43
CA4 P22748 4/20 0.43
CA6 P23280 4/20 0.43
CA7 P43166 4/20 0.43
CA5A P35218 4/20 0.43
CA5B Q9Y2D0 3/20 0.43
CA14 Q9ULX7 2/20 0.43
CYP2C9 P11712 1/20 0.43
CDK2 P24941 1/20 0.42
MAPK1 P28482 1/20 0.39
CA3 P07451 1/20 0.38
PLA2G7 Q13093 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
STAT3 P40763 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL23664914 0.81 L3MBTL1 (0.39) ALDH1A1
Benzene SCHEMBL28180960 0.80 CA2 (0.54) CA2CA9CA1CA12CA4
SCHEMBL4812059 0.78 CA2 (0.47) CA2CA9CA1CA12CA4
SCHEMBL401308 0.78 CA2 (0.47) CA2CA9CA1CA12CA4
SCHEMBL31310995 0.78 CA2 (0.47) CA2CA9CA1CA12CA4
SCHEMBL7369 0.78 CA2 (0.56) CA2CA9CA1CA12CA4
SCHEMBL29410204 0.78 CA2 (0.56) CA2CA9CA1CA12CA4
SCHEMBL31310972 0.77 CA2 (0.50) CA2CA9CA1CA12CA4
SCHEMBL1925949 0.77 CA2 (0.45) CA2CA9CA1CA12CA4
SCHEMBL1522324 0.77 CA2 (0.50) CA2CA9CA1CA12CA4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197836-A1 Combination of FBPase Inhibitors and Antidiabetic Agents Useful for the Treatment of Diabetes VAN POELJE PAUL D 2009-08-06 US disclosed
CN-101301294-A Combinated inhibitors of FBP-ase and antidiabetic agents for diabetes treatment METABEHJSIS TERAP JUTIKS INK (US) 2008-11-12 CN disclosed
CN-100396283-C Combination of FBP enzyme inhibitor and antidiabetic agent for treating diabetes METABASIS THERAPEUTICS INC (US) 2008-06-25 CN disclosed
CN-1599612-A Combination of FBP enzyme inhibitor and antidiabetic agent for treating diabetes METABASIS THERAPEUTICS INC (US) 2005-03-23 CN 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-20090197836-A1 Combination of FBPase Inhibitors and Antidiabetic Agents Useful for the Treatment of Diabetes FBP1, ALDOA, G6PC1 CA2 974/4885CA9 1213/4885CA1 2648/4885

“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.