SCHEMBL3910089

SCHEMBL3910089

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.51
TSHR P16473 1/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
PTPRC P08575 3/20 0.33
PTPN2 P17706 3/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL3916039 0.88 PTPN1 (0.51) PTPN1TSHRKMT2AMEN1CYP1A2
SCHEMBL3908645 0.85 PTPN1 (0.71) PTPN1PTPRCPTPN2
SCHEMBL3907330 0.84 PTPN1 (0.53) PTPN1TSHRKMT2AMEN1CYP1A2
SCHEMBL3913925 0.84 PTPN1 (0.53) PTPN1TSHRKMT2AMEN1CYP1A2
SCHEMBL13877878 0.81 PTPN1 (0.45) PTPN1TSHRKMT2AMEN1CYP1A2
SCHEMBL3905964 0.81 PTPN1 (0.50) PTPN1TSHRKMT2AMEN1CYP1A2
SCHEMBL3908332 0.79 PTPN1 (0.48) PTPN1TSHRKMT2AMEN1CYP1A2
SCHEMBL3906038 0.79 PTPN1 (0.45) PTPN1TSHRKMT2AMEN1CYP1A2
SCHEMBL3911286 0.75 PTPN1 (0.50) PTPN1KMT2AMEN1PTPRCPTPN2
SCHEMBL3906559 0.75 PTPN1 (0.44) PTPN1TSHRKMT2AMEN1CYP1A2

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-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
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 1019/4885KMT2A 2996/4885

“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.