SCHEMBL4184750

SCHEMBL4184750

Cc1c(Cl)ccc(S(N)(=O)=O)c1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.37
CA2 P00918 9/20 0.37
CA9 Q16790 6/20 0.37
CA12 O43570 5/20 0.37
CA4 P22748 4/20 0.37
CA6 P23280 4/20 0.37
CA5A P35218 4/20 0.37
CA7 P43166 4/20 0.37
CA5B Q9Y2D0 4/20 0.37
CA14 Q9ULX7 3/20 0.37
CA3 P07451 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CA13 Q8N1Q1 2/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGES2 Q9H7Z7 3/20 0.36

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
SCHEMBL7591942 0.82 ALDH1A1 (0.43) CA1CA2CA9CA12CA4
SCHEMBL4033412 0.80 CA1 (0.42) CA1CA2CA9CA12CA4
SCHEMBL4185548 0.74 CA2 (0.39) CA1CA2CA9CA12CA4
SCHEMBL4183678 0.73 CA2 (0.42) CA1CA2CA9CA12CA4
SCHEMBL618887 0.72 HSD11B1 (0.49) CA1CA2CA9CA12CA4
SCHEMBL23043571 0.71 ALDH1A1 (0.52) CA1CA2CA9CA12CA4
SCHEMBL16758832 0.71 ALDH1A1 (0.39) ALDH1A1
SCHEMBL31527823 0.71 HSD11B1 (0.48) CA1CA2CA9CA12CA4
SCHEMBL29688925 0.69 CYP3A4 (0.42) CA1CA2ALDH1A1LMNATDP1
SCHEMBL6038911 0.69 CA1 (0.48) CA1CA2CA9CA12CA4

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 8 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
US-7563774-B2 Combination of FBPase inhibitors and antidiabetic agents useful for the treatment of diabetes METABASIS THERAPEUTICS, INC. (US) 2009-07-21 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
EP-1372660-A2 A COMBINATION OF FBPASE INHIBITORS AND ANTIDIABETIC AGENTS USEFUL FOR THE TREATMENT OF DIABETES Metabasis Therapeutics, Inc. (US) 2004-01-02 EP disclosed
US-20030073728-A1 Combination of FBPase inhibitors and antidiabetic agents useful for the treatment of diabetes METABASIS THERAPEUTICS, INC. 2003-04-17 US disclosed
WO-2002003978-A2 A COMBINATION OF FBPase INHIBITORS AND ANTIDIABETIC AGENTS USEFUL FOR THE TREATMENT OF DIABETES METABASIS THERAPEUTICS, INC. (US) 2002-01-17 WO 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 (2 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-20030073728-A1 Combination of FBPase inhibitors and antidiabetic agents useful for the treatment of diabetes FBP1, ALDOA, G6PC1 CA1 2648/4885CA2 974/4885CA9 1213/4885
US-20090197836-A1 Combination of FBPase Inhibitors and Antidiabetic Agents Useful for the Treatment of Diabetes FBP1, ALDOA, G6PC1 CA1 2648/4885CA2 974/4885CA9 1213/4885

“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.