SCHEMBL3914775

SCHEMBL3914775

COC(=O)c1sc(-c2cccc(NC3CC(C)(C)CC(C)(C)C3)c2)c(C)c1OCC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 19/20 0.57
PTPN2 P17706 3/20 0.57
IDH1 O75874 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
SCHEMBL3916078 0.92 PTPN1 (0.54) PTPN1PTPN2IDH1
SCHEMBL3911387 0.91 PTPN1 (0.57) PTPN1PTPN2
SCHEMBL3909787 0.91 PTPN1 (0.70) PTPN1PTPN2
SCHEMBL3906761 0.89 PTPN1 (0.71) PTPN1PTPN2
SCHEMBL13867966 0.86 PTPN1 (0.55) PTPN1PTPN2
SCHEMBL3906823 0.86 PTPN1 (0.67) PTPN1PTPN2
SCHEMBL3916998 0.86 PTPN1 (0.56) PTPN1PTPN2
SCHEMBL3912387 0.86 PTPN1 (0.71) PTPN1PTPN2
SCHEMBL3909720 0.84 PTPN1 (0.56) PTPN1PTPN2
SCHEMBL3909717 0.84 PTPN1 (0.58) PTPN1PTPN2

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 11/4885PTPN2 17/4885IDH1 611/4885

“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.