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SCHEMBL6267804

SCHEMBL6267804

COC(=O)c1sc(-c2cccc(N(C3CCNCC3)S(=O)(=O)Cc3ccccc3C(F)(F)F)c2)c(C)c1OCC(=O)O.Cc1c(-c2cccc(N(C3CCNCC3)S(=O)(=O)Cc3ccccc3)c2)sc(C(=O)O)c1OCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 19/20 0.48
▸ PTPN2 P17706 11/20 0.48
▸ PTPRC P08575 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35

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
SCHEMBL6265189 0.95 PTPN1 (0.47) PTPN1PTPN2SLC6A2SLC6A4
SCHEMBL6266127 0.94 PTPN1 (0.52) PTPN1PTPN2PTPRCCYP2C9SLC6A2
SCHEMBL6261787 0.91 PTPN1 (0.51) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3910292 0.89 PTPN1 (0.57) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6267161 0.88 PTPN1 (0.56) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6262467 0.88 PTPN1 (0.45) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6263443 0.88 PTPN1 (0.40) PTPN1PTPN2SLC6A2SLC6A4
SCHEMBL6261763 0.88 PTPN1 (0.44) PTPN1PTPN2PTPRCCYP2C9SLC6A2
SCHEMBL6267320 0.87 PTPN1 (0.46) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6262222 0.86 PTPN1 (0.45) PTPN1PTPN2PTPRCCYP2C9SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 — — WO disclosed