SCHEMBL4126920

SCHEMBL4126920

COC(=O)c1sc2cc(-c3cccc(O)c3)ccc2c1OCC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.37
ACLY P53396 2/20 0.36
LIMK1 P53667 1/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 3/20 0.36
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL4131424 0.91 MAPT (0.37) ACLYLMNAMAPTKDM4EHPGD
SCHEMBL4119302 0.91 LIPG (0.42) PTPN1ACLYLMNAMAPTKDM4E
SCHEMBL4124207 0.89 MAPT (0.39) PTPN1ACLYLIMK1LMNAMAPT
SCHEMBL4131737 0.87 L3MBTL1 (0.41) PTPN1LIMK1LMNAMAPTKDM4E
SCHEMBL4130360 0.85 MCL1 (0.43) LMNAMAPTKDM4EHPGDL3MBTL1
SCHEMBL4124240 0.84 GABRA1 (0.42) ACLYLMNAMAPTKDM4EL3MBTL1
SCHEMBL4118848 0.84 NR4A2 (0.40) PTPN1LMNAMAPTKDM4EHPGD
SCHEMBL4123046 0.84 EGLN1 (0.40) ACLYLIMK1MAPTKDM4EHPGD
SCHEMBL4118492 0.83 MAPK1 (0.37) ACLYLMNAMAPTKDM4EHPGD
SCHEMBL4131053 0.81 SMN1; SMN2 (0.43) LMNAMAPTKDM4EHPGDL3MBTL1

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 PTPN1 11/4885ACLY 2321/4885LIMK1 1750/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM PTPN1 11/4885ACLY 2321/4885LIMK1 1750/4885

“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.