SCHEMBL4183678

SCHEMBL4183678

Cc1c(C(F)(F)F)ccc(S(N)(=O)=O)c1I

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
CA5A P35218 2/20 0.42
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
KIF11 P52732 2/20 0.37
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR2 P34972 1/20 0.34
PTGES2 Q9H7Z7 2/20 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
SCHEMBL11341255 0.84 CA2 (0.46) CA2CA1CA5ACA9CA12
SCHEMBL30821286 0.75 CA2 (0.44) CA2CA1CA5ACA9CA12
SCHEMBL6193205 0.75 CA2 (0.44) CA2CA1CA5ACA9CA12
SCHEMBL4184750 0.73 CA1 (0.37) CA2CA1CA5ACA9CA12
SCHEMBL31738184 0.72 KDM4E (0.48) CA2CA1CA5ACA9CA12
SCHEMBL16261364 0.71 CA1 (0.53) CA2CA1CA5ACA9CA12
SCHEMBL11093532 0.70 KIF11 (0.36) CA2CA1CA5ACA9CA12
SCHEMBL25251235 0.68 ALDH1A1 (0.39) CA2CA1CA5ACA9CA12
SCHEMBL28251351 0.68 ALDH1A1 (0.46) CA2CA1CA5ACA9CA12
SCHEMBL3864217 0.68 CA12 (0.49) CA2CA1CA5ACA9CA12

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 CA2 974/4885CA1 2648/4885CA5A 409/4885
US-20090197836-A1 Combination of FBPase Inhibitors and Antidiabetic Agents Useful for the Treatment of Diabetes FBP1, ALDOA, G6PC1 CA2 974/4885CA1 2648/4885CA5A 409/4885

“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.