SCHEMBL4183580

SCHEMBL4183580

NS(=O)(=O)c1cccc(Cc2ccccc2)c1I

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.45
CA2 P00918 8/20 0.45
CA9 Q16790 6/20 0.45
CA12 O43570 3/20 0.45
CA14 Q9ULX7 3/20 0.45
PTGES2 Q9H7Z7 1/20 0.42
HTR2A P28223 1/20 0.42
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CYP2C9 P11712 1/20 0.41
CA7 P43166 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.40

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
SCHEMBL30988956 0.85 CA2 (0.50) CA1CA2CA9CA12CA14
SCHEMBL407413 0.85 CA2 (0.50) CA1CA2CA9CA12CA14
Hydrochloric Acid SCHEMBL3517386 0.84 CA1 (0.49) CA1CA2CA9CA12CA14
Methane SCHEMBL28850761 0.84 CA2 (0.49) CA1CA2CA9CA12CA14
SCHEMBL6121437 0.83 CA1 (0.45) CA1CA2CA9CA12CA14
SCHEMBL3853253 0.80 CA1 (0.50) CA1CA2CA9CA12CA14
SCHEMBL4664432 0.79 CA1 (0.42) CA1CA2CA9CA12CA14
SCHEMBL22675719 0.79 CALM1 (0.52) HTR2ACYP2C9BCL2BCL2L1
SCHEMBL4662822 0.79 LMNA (0.43) CA1CA2CA9CA12CA14
SCHEMBL3837666 0.79 CA1 (0.41) CA1CA2CA9CA12CA14

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 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.