SCHEMBL6950849

SCHEMBL6950849

CN(C)S(=O)(=O)c1ccc(CC(Cc2ccc(OP(=O)(O)C(F)F)cc2)(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.55
PTPRC P08575 2/20 0.51
ALDH1A1 P00352 3/20 0.39
PTPN2 P17706 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL7888262 0.88 PTPN1 (0.56) PTPN1PTPRC
SCHEMBL6946506 0.83 PTPN1 (0.80) PTPN1PTPRCPTPN2
SCHEMBL6951095 0.82 PTPN1 (0.59) PTPN1PTPRCPTPN2
SCHEMBL6948365 0.77 PTPN1 (0.49) PTPN1PTPRCPTPN2MAPT
SCHEMBL6950094 0.76 PTPN1 (0.48) PTPN1PTPRCPTPN2POLBSMN1; SMN2
SCHEMBL6952150 0.71 PTPN1 (1.00) PTPN1PTPRCPTPN2
SCHEMBL6946043 0.71 CA2 (0.45) ALDH1A1
SCHEMBL7888258 0.69 PTPN1 (0.81) PTPN1PTPRCPTPN2
SCHEMBL3741813 0.69 CTSL (0.54)
SCHEMBL6952067 0.68 PTPN1 (1.00) PTPN1PTPRCPTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115729-B1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B MERCK FROSST CANADA INC (CA) 2003-02-19 EP claimed
US-6174874-B1 ANTIDIABETIC,-CARCINOGENIC AGENTS; IMPROVING GLUCOSE TOLERANCE/INSULIN-SENSITIVITY; PREVENTING/TREATING OBESITY AND NEURODEGENERATIVE DISEASES; E.G. 1,3-BIS-((PHOSPHONODI-FLUOROMETHYL)PHENYL)-2-DICARBOXYPROPANE MERCK FROSST CANADA & CO. (CA) 2001-01-16 US claimed
EP-1115729-B1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B MERCK FROSST CANADA INC (CA) 2003-02-19 EP disclosed
US-6174874-B1 ANTIDIABETIC,-CARCINOGENIC AGENTS; IMPROVING GLUCOSE TOLERANCE/INSULIN-SENSITIVITY; PREVENTING/TREATING OBESITY AND NEURODEGENERATIVE DISEASES; E.G. 1,3-BIS-((PHOSPHONODI-FLUOROMETHYL)PHENYL)-2-DICARBOXYPROPANE MERCK FROSST CANADA & CO. (CA) 2001-01-16 US disclosed