SCHEMBL3906830

SCHEMBL3906830

COC(=O)c1sc(-c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)c(Br)c1OCC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.58
SLC2A1 P11166 1/20 0.46
GPR119 Q8TDV5 2/20 0.44
PTPN2 P17706 4/20 0.43
MMP13 P45452 1/20 0.42
TGFBR1 P36897 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
SCHEMBL13878131 0.90 PTPN1 (0.54) PTPN1SLC2A1GPR119PTPN2MMP13
SCHEMBL3906682 0.88 PTPN1 (0.59) PTPN1PTPN2TGFBR1
SCHEMBL3906031 0.88 PTPN1 (0.73) PTPN1PTPN2
Hydrochloric Acid SCHEMBL3910287 0.87 PTPN1 (0.58) PTPN1PTPN2TGFBR1
SCHEMBL3916783 0.87 PTPN1 (0.59) PTPN1PTPN2
SCHEMBL3908037 0.86 PTPN1 (0.68) PTPN1PTPN2
SCHEMBL3909910 0.85 PTPN1 (0.54) PTPN1PTPN2
SCHEMBL3916524 0.85 PTPN1 (0.48) PTPN1GPR119PTPN2MMP13
SCHEMBL3908315 0.84 PTPN1 (0.60) PTPN1PTPN2
SCHEMBL13867912 0.83 PTPN1 (0.57) 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 11/4885SLC2A1 528/4885GPR119 146/4885

“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.