SCHEMBL4126007

SCHEMBL4126007

COc1cc(OCc2ccccc2)cc2sc(C(=O)OC(C)(C)C)c(C(=O)OC(C)(C)C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.41
MAOB P27338 1/20 0.40
EDNRA P25101 1/20 0.39
TNF P01375 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL4120971 0.75 EDNRA (0.48) SCDMAOBEDNRA
SCHEMBL31659371 0.72 HPGD (0.54) MAOBMEN1KMT2AL3MBTL1HDAC8
SCHEMBL4126003 0.71 EDNRA (0.47) SCDMAOBEDNRAMEN1KMT2A
SCHEMBL31643571 0.71 MEN1 (0.59) MAOBMEN1KMT2AL3MBTL1HDAC8
SCHEMBL19267892 0.70 MAOB (0.56) MAOBMEN1KMT2AL3MBTL1HDAC8
SCHEMBL4129727 0.70 LMNA (0.40) KMT2AL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL2174555 0.69 L3MBTL1 (0.54) MAOBTNFNOD2NOD1L3MBTL1
SCHEMBL28903577 0.69 HPGD (0.52) L3MBTL1HDAC8SMN1; SMN2MRGPRX4NPC1
SCHEMBL30102553 0.69 HPGD (0.52) L3MBTL1HDAC8SMN1; SMN2MRGPRX4NPC1
SCHEMBL14178921 0.68 MAOB (0.54) MAOBMEN1KMT2AL3MBTL1HDAC8

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 SCD 2437/4885MAOB 1009/4885EDNRA 3588/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM SCD 2437/4885MAOB 1009/4885EDNRA 3588/4885

“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.