SCHEMBL6262198

SCHEMBL6262198

COC(=O)c1sc(-c2cccc(N(C3CCNCC3)S(=O)(=O)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)c(Br)c1OCC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.41
PTPN2 P17706 6/20 0.37
TACR1 P25103 3/20 0.36
PTPRC P08575 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL6267160 0.96 PTPN1 (0.40) PTPN1PTPN2TACR1PTPRCCYP2C9
SCHEMBL6262829 0.95 PTPN1 (0.41) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6262345 0.93 PTPN1 (0.44) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6263976 0.92 PTPN1 (0.41) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6266831 0.91 PTPN1 (0.42) PTPN1PTPN2TACR1PTPRCCYP2C9
SCHEMBL6267048 0.91 PTPN1 (0.44) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3909144 0.90 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL6263822 0.90 PTPN1 (0.45) PTPN1PTPN2TACR1PTPRCCYP2C9
SCHEMBL6263911 0.90 PTPN1 (0.40) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL6267752 0.90 PTPN1 (0.47) 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