SCHEMBL3907442

SCHEMBL3907442

O=C(O)COc1c(C(=O)O)sc(-c2cccc(NCc3cccc([N+](=O)[O-])c3)c2)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.61
AKR1B1 P15121 1/20 0.47
PTPN2 P17706 1/20 0.45

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
SCHEMBL3908473 0.96 PTPN1 (0.59) PTPN1AKR1B1
SCHEMBL3906863 0.90 PTPN1 (0.78) PTPN1PTPN2
SCHEMBL3909171 0.90 PTPN1 (0.61) PTPN1PTPN2
SCHEMBL3908617 0.88 PTPN1 (0.78) PTPN1PTPN2
SCHEMBL3909512 0.86 PTPN1 (0.67) PTPN1
SCHEMBL3906919 0.86 PTPN1 (0.68) PTPN1PTPN2
SCHEMBL3910176 0.86 PTPN1 (0.75) PTPN1PTPN2
SCHEMBL3906150 0.86 PTPN1 (0.59) PTPN1PTPN2
SCHEMBL3906683 0.85 PTPN1 (0.66) PTPN1
SCHEMBL3909983 0.85 PTPN1 (0.66) 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 11/4885AKR1B1 2379/4885PTPN2 17/4885

“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.