SCHEMBL3906267

SCHEMBL3906267

O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCCC3)c2)c1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 1.00
PTPN2 P17706 6/20 0.75
PTPRC P08575 1/20 0.72
CYP2C9 P11712 1/20 0.72

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
SCHEMBL3908697 0.99 PTPN1 (1.00) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3910558 0.99 PTPN1 (1.00) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3907418 0.92 PTPN1 (1.00) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3908085 0.92 PTPN1 (1.00) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3914394 0.91 PTPN1 (0.84) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3911831 0.90 PTPN1 (0.81) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3911662 0.90 PTPN1 (0.81) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3904693 0.90 PTPN1 (0.81) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3906786 0.90 PTPN1 (0.81) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3905444 0.89 PTPN1 (0.79) PTPN1PTPN2PTPRCCYP2C9

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 4 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 claimed
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 17/4885PTPRC 5/4885

“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.