SCHEMBL4664435

SCHEMBL4664435

O=S(=O)(NCc1ccc(I)cc1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.76
CA12 O43570 4/20 0.68
CA9 Q16790 3/20 0.68
CA2 P00918 3/20 0.68
CA1 P00915 2/20 0.68
LMNA P02545 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
ATM Q13315 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 4/20 0.55
PRMT1 Q99873 1/20 0.54
CXCR4 P61073 1/20 0.54
CYP19A1 P11511 1/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CA7 P43166 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL407414 0.87 KEAP1 (1.00) KEAP1CA12CA9CA2CA1
Hydrochloric Acid SCHEMBL3516799 0.85 KEAP1 (0.96) KEAP1CA12CA9CA2CA1
SCHEMBL4663044 0.82 KEAP1 (0.76) KEAP1CA12CA9CA2CA1
SCHEMBL13895345 0.82 KEAP1 (0.76) KEAP1CA12CA9CA2CA1
SCHEMBL4662819 0.82 CA12 (0.87) KEAP1CA12CA9CA2CA1
SCHEMBL4662845 0.82 KEAP1 (0.76) KEAP1CA12CA9CA2CA1
SCHEMBL5960098 0.82 KEAP1 (0.76) KEAP1CA12CA9CA2CA1
SCHEMBL4662824 0.81 KEAP1 (0.69) KEAP1CA12CA9CA2CA1
SCHEMBL5165491 0.81 CYP19A1 (0.71) KEAP1CA12CA9CA2CA1
SCHEMBL11105032 0.79 KEAP1 (0.71) KEAP1CA12CA9CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007760-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIZIN-3-ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-12-31 EP disclosed
WO-2007108569-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIZIN-3-ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESERACH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-09-27 WO disclosed
EP-1765332-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES Cengent Therapeutics, Inc. (US) 2007-03-28 EP disclosed
US-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 US disclosed
WO-2006009876-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-01-26 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 (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-20060135773-A1 Trisubstituted nitrogen modulators of tyrosine phosphatases PTPA, PTPN1, PTPRS KEAP1 3626/4885CA12 4195/4885CA9 3599/4885

“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.