SCHEMBL3906759

SCHEMBL3906759

O=C(O)COc1c(C(=O)O)sc(-c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)c1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.65
NR3C1 P04150 1/20 0.48
PGR P06401 1/20 0.48
AR P10275 1/20 0.48
ESR2 Q92731 1/20 0.48
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
ACLY P53396 1/20 0.44
SERPINE1 P05121 1/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
PTPN2 P17706 5/20 0.43
HSPD1 P10809 4/20 0.43
PTPN5 P54829 4/20 0.43
HSPE1 P61604 4/20 0.43
HSD17B2 P37059 1/20 0.43
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
PTPRC P08575 1/20 0.42

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
SCHEMBL3918020 0.92 PTPN1 (0.61) PTPN1ACLYGAAPTPN2
SCHEMBL3907213 0.90 PTPN1 (0.81) PTPN1PTPN2PTPRC
SCHEMBL3905068 0.90 PTPN1 (0.65) PTPN1NR3C1PGRARESR2
SCHEMBL3906791 0.89 PTPN1 (0.80) PTPN1ARHDAC1HDAC8PTPN2
SCHEMBL3909694 0.87 PTPN1 (0.62) PTPN1PTPN2PTPRC
SCHEMBL3909211 0.84 PTPN1 (0.66) PTPN1PTPN2
SCHEMBL3903462 0.82 PTPN1 (0.57) PTPN1ACLYMEN1KMT2APTPN2
SCHEMBL3909925 0.82 PTPN1 (0.75) PTPN1PTPN2
SCHEMBL3908653 0.82 PTPN1 (0.61) PTPN1GAAPTPN2HSD17B2
SCHEMBL3908723 0.82 PTPN1 (0.54) PTPN1ACLYPTPN2PTPRC

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 11/4885NR3C1 1863/4885PGR 3813/4885

“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.