SCHEMBL4183576

SCHEMBL4183576

NS(=O)(=O)C1C=CC=CC1(I)Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.37
CA1 P00915 5/20 0.37
CA12 O43570 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 4/20 0.36
CA5A P35218 1/20 0.36
MAOA P21397 7/20 0.35
MAOB P27338 7/20 0.35
KDM1A O60341 4/20 0.33
CYP3A4 P08684 1/20 0.30

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
SCHEMBL3978109 0.70 CA1 (0.31) CA2CA1
SCHEMBL1500499 0.69 KDM1A (0.33) CA2CA1CA12CA7CA9
SCHEMBL8695942 0.68 CA1 (0.32) CA2CA1CA12CA14CA7
SCHEMBL28021247 0.68 MAOB (0.34) CA2CA1CA12CA14CA7
SCHEMBL4649386 0.67 CA2 (0.37) CA2CA1CA12CA14CA7
SCHEMBL394270 0.65 MAOA (0.41) MAOAMAOBKDM1ACYP3A4
SCHEMBL7364601 0.65
SCHEMBL15346092 0.64 KDM1A (0.30) MAOAMAOBKDM1A
SCHEMBL31294910 0.64 MAOA (0.37) MAOAMAOBKDM1ACYP3A4
SCHEMBL5790163 0.63 MAOA (0.38) MAOAMAOBKDM1ACYP3A4

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 1 patent. 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

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 974/4885CA1 2648/4885CA12 2664/4885

“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.