SCHEMBL7048076

SCHEMBL7048076

COC(=O)c1c(O)cccc1OCCCCN.COC(=O)c1c(O)cccc1OCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.57
PTPN22 Q9Y2R2 7/20 0.57

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
SCHEMBL2892290 0.95 PTPN1 (0.61) PTPN1PTPN22
Hydrochloric Acid SCHEMBL6689696 0.88 PTPN1 (0.49) PTPN1PTPN22
SCHEMBL19667608 0.88 PTPN1 (0.54) PTPN1PTPN22
SCHEMBL3735898 0.85 CA12 (0.57) PTPN1PTPN22
Hydrochloric Acid SCHEMBL5892682 0.84 CA12 (0.56) PTPN1PTPN22
Hydrochloric Acid SCHEMBL5892998 0.83 CA12 (0.54) PTPN1PTPN22
SCHEMBL23318052 0.83 PTPN1 (0.49) PTPN1PTPN22
SCHEMBL3927385 0.82 PTPN1 (0.54) PTPN1PTPN22
SCHEMBL3468734 0.82 CA1 (0.56) PTPN1PTPN22
SCHEMBL2895010 0.80 PTPN1 (0.51) PTPN1PTPN22

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003072537-A2 SELECTIVE PROTEIN TYROSINE PHOSPHATATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-09-04 WO disclosed
WO-2003020688-A1 SELECTIVE PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-03-13 WO disclosed