SCHEMBL4131804

SCHEMBL4131804

O=C(O)c1ccc(OCc2ccccc2)cc1S

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.60
NR4A2 P43354 2/20 0.57
NR4A1 P22736 1/20 0.57
NR4A3 Q92570 1/20 0.57
MCL1 Q07820 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SLC16A3 O15427 1/20 0.54
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MDH2 P40926 1/20 0.53
SRD5A2 P31213 2/20 0.53
CTSV O60911 2/20 0.52
CTSL P07711 2/20 0.52
LTB4R Q15722 1/20 0.52
LTB4R2 Q9NPC1 1/20 0.52
ALOX5 P09917 1/20 0.51
P4HTM Q9NXG6 1/20 0.51
FOLH1 Q04609 1/20 0.51

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
SCHEMBL8618024 0.87 SRD5A2 (0.57) MAOBNR4A2NR4A1NR4A3MEN1
SCHEMBL4125549 0.85 MAOB (0.58) MAOBNR4A2NR4A1NR4A3MEN1
SCHEMBL7161222 0.85 MAOB (0.65) MAOBNR4A2NR4A1NR4A3MCL1
SCHEMBL1519064 0.84 MAOB (0.77) MAOBNR4A2NR4A1NR4A3MCL1
SCHEMBL4756552 0.84 MAOB (0.63) MAOBNR4A2NR4A1NR4A3MCL1
SCHEMBL2997270 0.83 MAOB (0.62) MAOBNR4A2NR4A1NR4A3MCL1
SCHEMBL1941274 0.82 MAOB (0.57) MAOBNR4A2NR4A1NR4A3MCL1
Hydrochloric Acid SCHEMBL9015457 0.81 MAOB (0.61) MAOBNR4A2NR4A1NR4A3MCL1
SCHEMBL21924233 0.81 MAOB (0.60) MAOBNR4A2NR4A1NR4A3MCL1
SCHEMBL1115026 0.81 MEN1 (0.67) MAOBNR4A2NR4A1NR4A3MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 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-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM MAOB 1009/4885NR4A2 1865/4885NR4A1 2579/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM MAOB 1009/4885NR4A2 1865/4885NR4A1 2579/4885

“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.