SCHEMBL3906408

SCHEMBL3906408

CCS(=O)(=O)N1CCC(Nc2cccc(-c3sc(C(=O)O)c(OCC(=O)O)c3Br)c2)CC1

nearest known ligand 0.88

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.88
PTPN2 P17706 11/20 0.85
PTPRC P08575 1/20 0.85
CYP2C9 P11712 1/20 0.85

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
SCHEMBL3907643 0.95 PTPN1 (0.82) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3906775 0.94 PTPN1 (0.80) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3909024 0.94 PTPN1 (0.77) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3908541 0.93 PTPN1 (1.00) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3904696 0.92 PTPN1 (1.00) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3904902 0.92 PTPN1 (1.00) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3905133 0.91 PTPN1 (0.84) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3908969 0.91 PTPN1 (1.00) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3911417 0.91 PTPN1 (0.86) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3903805 0.91 PTPN1 (0.86) 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 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 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

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.