SCHEMBL3908429

SCHEMBL3908429

CCOC(=O)COc1c(C(=O)OC)sc(-c2cccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c2)c1Br

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.53
HIF1A Q16665 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
IDH1 O75874 1/20 0.45
HSD17B2 P37059 1/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTPN2 P17706 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL3916525 0.93 PTPN1 (0.58) PTPN1HIF1ALMNATP53IDH1
SCHEMBL3914591 0.90 PTPN1 (0.61) PTPN1PTPN2
SCHEMBL3907041 0.88 PTPN1 (0.57) PTPN1LMNAIDH1
SCHEMBL3919897 0.88 PTPN1 (0.70) PTPN1LMNANPSR1
SCHEMBL3907261 0.87 PTPN1 (0.59) PTPN1LMNATP53
SCHEMBL3916807 0.86 PTPN1 (0.49) PTPN1HIF1ALMNATP53IDH1
SCHEMBL3916110 0.85 PTPN1 (0.54) PTPN1PTPN2
SCHEMBL3907980 0.85 PTPN1 (0.54) PTPN1PTPN2
SCHEMBL3907226 0.85 PTPN1 (0.57) PTPN1LMNAHSD17B2
SCHEMBL3908609 0.84 PTPN1 (0.52) PTPN1LMNATP53IDH1

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 11/4885HIF1A 3389/4885LMNA 4870/4885

“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.