SCHEMBL3908612

SCHEMBL3908612

COC(=O)COc1c(C(=O)OCOC(=O)C(C)(C)C)sc(Br)c1Br

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.43
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK14 Q16539 1/20 0.31

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
SCHEMBL3908645 0.76 PTPN1 (0.71) PTPN1
SCHEMBL3906530 0.76 PTPN1 (0.48) PTPN1TSHRL3MBTL1MEN1CYP1A2
SCHEMBL3907330 0.75 PTPN1 (0.53) PTPN1TSHRL3MBTL1MEN1CYP1A2
SCHEMBL3913925 0.75 PTPN1 (0.53) PTPN1TSHRL3MBTL1MEN1CYP1A2
SCHEMBL3911917 0.75 PTPN1 (0.49) PTPN1TSHRL3MBTL1MEN1CYP1A2
SCHEMBL3908605 0.74 PTPN1 (0.46) PTPN1TSHRL3MBTL1MEN1CYP1A2
SCHEMBL3916039 0.74 PTPN1 (0.51) PTPN1TSHRL3MBTL1MEN1CYP1A2
SCHEMBL3910089 0.74 PTPN1 (0.51) PTPN1TSHRL3MBTL1MEN1CYP1A2
SCHEMBL3906038 0.73 PTPN1 (0.45) PTPN1TSHRMEN1CYP1A2KMT2A
SCHEMBL3905964 0.73 PTPN1 (0.50) PTPN1TSHRMEN1CYP1A2KMT2A

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-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081954-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 (1 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-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRO, PTPRS, PTPRM PTPN1 11/4885TSHR 1019/4885L3MBTL1 2391/4885

“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.