SCHEMBL4126316

SCHEMBL4126316

CCOC(=O)c1ccc(Cl)nc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 1/20 0.52
HSP90AA1 P07900 1/20 0.52
KMT2A Q03164 1/20 0.52
MCL1 Q07820 1/20 0.50
BAK1 Q16611 1/20 0.50
MAOB P27338 1/20 0.47
RAB9A P51151 2/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 2/20 0.47
TSHR P16473 3/20 0.46
PPIA P62937 1/20 0.46
NMT1 P30419 2/20 0.45
CYP1A2 P05177 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45

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
SCHEMBL424710 0.85 L3MBTL1 (0.48) L3MBTL1MEN1KMT2ARAB9AMAPK1
SCHEMBL21331681 0.84 MCL1 (0.59) L3MBTL1MEN1KMT2AMCL1BAK1
SCHEMBL21489650 0.81 CNR1 (0.53) L3MBTL1MCL1BAK1RAB9APOLB
SCHEMBL4126156 0.80 POLB (0.53) L3MBTL1MEN1HSP90AA1KMT2AMCL1
SCHEMBL4700131 0.78 L3MBTL1 (0.51) L3MBTL1MEN1HSP90AA1KMT2AMAOB
SCHEMBL3080180 0.77 L3MBTL1 (0.53) L3MBTL1MEN1HSP90AA1KMT2AMAOB
SCHEMBL15584081 0.77 ALDH1A1 (0.63) MEN1HSP90AA1KMT2ARAB9AMAPK1
SCHEMBL25310870 0.76 NPSR1 (0.61) MEN1KMT2ARAB9AMAPK1NPSR1
SCHEMBL5091732 0.76 ALDH1A1 (0.61) L3MBTL1MEN1KMT2ARAB9AMAPK1
SCHEMBL2861613 0.75 MEN1 (0.62) L3MBTL1MEN1HSP90AA1KMT2AMAOB

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
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
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 L3MBTL1 2530/4885MEN1 4592/4885HSP90AA1 1065/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM L3MBTL1 2530/4885MEN1 4592/4885HSP90AA1 1065/4885

“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.