SCHEMBL6267306

SCHEMBL6267306

CCCCS(=O)(=O)N(c1cccc(-c2sc(C(=O)O)c(OCC(=O)OC)c2Br)c1)C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.53
PTPN2 P17706 3/20 0.42
PTPRC P08575 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL3918298 0.95 PTPN1 (0.56) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6260943 0.94 PTPN1 (0.45) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6262138 0.93 PTPN1 (0.59) PTPN1PTPN2PTPRC
SCHEMBL3907116 0.89 PTPN1 (0.53) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6267553 0.89 PTPN1 (0.60) PTPN1PTPN2PTPRC
SCHEMBL6265993 0.88 PTPN1 (0.43) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6262960 0.88 PTPN1 (0.63) PTPN1PTPN2PTPRC
SCHEMBL6267153 0.87 PTPN1 (0.55) PTPN1PTPN2
SCHEMBL6264478 0.86 PTPN1 (0.54) PTPN1PTPN2PTPRCCYP2C9
Thiophene Carboxylic Acid SCHEMBL6265530 0.85 PTPN1 (0.48) 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 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