SCHEMBL6262467

SCHEMBL6262467

COC(=O)c1sc(-c2cccc(N(C3CCNCC3)S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)c2)c(C)c1OCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.45
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
TACR1 P25103 1/20 0.36
PTPN2 P17706 6/20 0.36
PTPRC P08575 1/20 0.36
CYP2C9 P11712 1/20 0.36
F10 P00742 1/20 0.35
PTPN6 P29350 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL6261763 0.94 PTPN1 (0.44) PTPN1PPARDTACR1PTPN2PTPRC
SCHEMBL6267320 0.93 PTPN1 (0.46) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6261787 0.93 PTPN1 (0.51) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6265692 0.92 PTPN1 (0.49) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6266332 0.92 PTPN1 (0.46) PTPN1TACR1PTPN2PTPRCCYP2C9
SCHEMBL6262222 0.90 PTPN1 (0.45) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6263620 0.89 PTPN1 (0.48) PTPN1TACR1PTPN2PTPRCCYP2C9
SCHEMBL6267804 0.88 PTPN1 (0.48) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6265189 0.88 PTPN1 (0.47) PTPN1PTPN2
SCHEMBL6266949 0.88 PTPN1 (0.45) PTPN1TACR1PTPN2PTPRCCYP2C9

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