SCHEMBL7697483

SCHEMBL7697483

N[C@H](C=O)Cc1ccc(C(F)(F)P(=O)(O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.65
PTPN2 P17706 6/20 0.55
PTPN6 P29350 5/20 0.55
PTPN11 Q06124 4/20 0.55
PGK1 P00558 2/20 0.55
PGK2 P07205 2/20 0.55
PTPN5 P54829 3/20 0.50
PTPRC P08575 2/20 0.50
PTPRB P23467 2/20 0.50
CDC25A P30304 1/20 0.50
PTPRA P18433 1/20 0.46

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
SCHEMBL2269390 0.80 KIF11 (0.46) PTPN1
SCHEMBL2269572 0.80 KIF11 (0.46) PTPN1
SCHEMBL6949847 0.79 PTPN1 (0.66) PTPN1PTPN2PTPN6PTPN11PGK1
Phosphonodifluoromethyl Phenylalanine SCHEMBL2517440 0.79 PTPN1 (1.00) PTPN1PTPN2PTPN6PTPN11PGK1
Phosphonodifluoromethyl Phenylalanine SCHEMBL2517439 0.79 PTPN1 (1.00) PTPN1PTPN2PTPN6PTPN11PGK1
Phosphonodifluoromethyl Phenylalanine SCHEMBL9545904 0.79 PTPN1 (1.00) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL27715838 0.79 PTPN1 (0.78) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL7831965 0.76 PTPN1 (0.75) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL14679499 0.76 GRB2 (0.54) PTPN1
SCHEMBL10068446 0.76 PGK1 (0.49) PGK1PGK2PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114132-A FOR DETERMINING THE BINDING ABILITY OF A LIGAND TO A CYSTEINE-CONTAINING WILD-TYPE TYROSINE PHOSPHATASE; MEDICAL DIAGNOSIS MERCK FROSST CANADA & CO. (CA) 2000-09-05 US claimed
EP-0937157-A1 HYDROLASE BINDING ASSAY Merck Frosst Canada & Co. (CA) 1999-08-25 EP claimed
WO-1998020156-A1 HYDROLASE BINDING ASSAY MERCK FROSST CANADA & CO. (CA) 1998-05-14 WO claimed
US-6348572-B1 TRIPEPTIDE CONTAINING 4-PHOSPHONO(DIFLUOROMETHYL)PHENYLALANINE GROUPS; TYROSINE PHOSPHATASE AND CYSTEINE PROTEASE ASSAYS; COMPETITIVE BINDING; DIABETES, CANCER, ALZHEIMER*S DISEASE, OSTEOPOROSIS MERCK FROSST CANADA & CO. (CA) 2002-02-19 US disclosed
US-6114132-A FOR DETERMINING THE BINDING ABILITY OF A LIGAND TO A CYSTEINE-CONTAINING WILD-TYPE TYROSINE PHOSPHATASE; MEDICAL DIAGNOSIS MERCK FROSST CANADA & CO. (CA) 2000-09-05 US disclosed
US-6066715-A TRIPEPTIDE FOR USE IN ENZYME ANALYSIS; FOR THE TREATMENT OF ALZHEIMER'S DISEASE, OSTEOPOROSIS AND IMMUNOSUPPRESSION; ANTICARCINOGENIC AND ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2000-05-23 US disclosed
EP-0941232-A1 LIGANDS FOR PHOSPHATASE BINDING ASSAY MERCK FROSST CANADA INC. (CA) 1999-09-15 EP disclosed
EP-0937157-A1 HYDROLASE BINDING ASSAY Merck Frosst Canada & Co. (CA) 1999-08-25 EP disclosed
WO-1998020156-A1 HYDROLASE BINDING ASSAY MERCK FROSST CANADA & CO. (CA) 1998-05-14 WO disclosed
WO-1998020024-A1 LIGANDS FOR PHOSPHATASE BINDING ASSAY MERCK FROSST CANADA & CO. (CA) 1998-05-14 WO disclosed