SCHEMBL6413633

SCHEMBL6413633

N=C1NC(=O)C(=Cc2ccc(O)c(C(=O)O)c2)S1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 1/20 0.73
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
POLB P06746 2/20 0.64
MRE11 P49959 1/20 0.62
XDH P47989 2/20 0.52
CISD1 Q9NZ45 2/20 0.51
MYC P01106 1/20 0.51
MAX P61244 1/20 0.51
CLK2 P49760 2/20 0.51
DYRK1A Q13627 2/20 0.51
CLK1 P49759 1/20 0.51
CLK3 P49761 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
INSR P06213 1/20 0.51
IGF1R P08069 1/20 0.51
GSK3B P49841 4/20 0.48
PIM1 P11309 2/20 0.48
PIM3 Q86V86 2/20 0.48
PIM2 Q9P1W9 2/20 0.48

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
SCHEMBL6413629 1.00 PTP4A3 (0.73) PTP4A3MEN1KMT2APOLBMRE11
SCHEMBL6448804 0.88 PTP4A3 (0.78) PTP4A3CISD1MYCMAXCLK2
SCHEMBL6450013 0.88 PTP4A3 (0.78) PTP4A3CISD1MYCMAXCLK2
SCHEMBL6448803 0.88 PTP4A3 (0.78) PTP4A3CISD1MYCMAXCLK2
SCHEMBL13846860 0.85 MEN1 (0.71) MEN1KMT2APOLBMRE11XDH
SCHEMBL6418929 0.85 MEN1 (0.71) MEN1KMT2APOLBMRE11XDH
SCHEMBL6418925 0.85 MEN1 (0.71) MEN1KMT2APOLBMRE11XDH
SCHEMBL8178908 0.84 PTP4A3 (1.00) PTP4A3MEN1KMT2ACISD1MYC
SCHEMBL8178911 0.84 PTP4A3 (1.00) PTP4A3MEN1KMT2ACISD1MYC
SCHEMBL6416668 0.79 MRE11 (0.70) MEN1KMT2APOLBMRE11XDH

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-20050019825-A9 Common ligand mimics: pseudothiohydantoins TRIAD THERAPEUTICS, INC. 2005-01-27 US disclosed
US-20040009527-A1 Common ligand mimics: pseudothiohydantoins DONG QING (US) 2004-01-15 US disclosed
WO-2003081209-A2 IDENTIFICATION OF LIGANDS FOR A RECEPTOR FAMILY AND RELATED METHODS TRIAD THERAPEUTICS, INC. (US) 2003-10-02 WO disclosed
US-20030180797-A1 Identification of ligands for a receptor family and related methods TRIAD THERAPEUTICS, INC. 2003-09-25 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 (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-20050019825-A9 Common ligand mimics: pseudothiohydantoins FGFR3, BID, FLT3 PTP4A3 789/4885MEN1 1966/4885KMT2A 3032/4885
US-20040009527-A1 Common ligand mimics: pseudothiohydantoins FGFR3, BID, FLT3 PTP4A3 789/4885MEN1 1966/4885KMT2A 3032/4885

“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.