SCHEMBL6267752

SCHEMBL6267752

COC(=O)c1sc(-c2cccc(N(C3CCNCC3)S(=O)(=O)Cc3ccccc3C(F)(F)F)c2)c(Br)c1OCC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.47
PTPN2 P17706 8/20 0.47
PTPRC P08575 1/20 0.35
CYP2C9 P11712 1/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL6263443 0.93 PTPN1 (0.40) PTPN1PTPN2SLC6A2SLC6A4SLC6A3
SCHEMBL6265089 0.92 PTPN1 (0.46) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6267161 0.92 PTPN1 (0.56) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6262345 0.90 PTPN1 (0.44) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6265776 0.90 PTPN1 (0.40) PTPN1PTPN2SLC6A2SLC6A4SLC6A3
SCHEMBL6262198 0.90 PTPN1 (0.41) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6262095 0.89 PTPN1 (0.39) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3909144 0.89 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL6262829 0.89 PTPN1 (0.41) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6267160 0.89 PTPN1 (0.40) 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