SCHEMBL3385203

SCHEMBL3385203

O=C(O)Cc1ccc(C(F)(F)P(=O)(O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.66
PGK1 P00558 2/20 0.64
PGK2 P07205 2/20 0.64
PTPN2 P17706 4/20 0.64
PTPN6 P29350 4/20 0.64
PTPN11 Q06124 3/20 0.64
PTPN5 P54829 1/20 0.58
PTPRC P08575 3/20 0.57
PTPRB P23467 2/20 0.57
CDC25A P30304 1/20 0.57

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
SCHEMBL6949855 0.87 PTPN1 (0.59) PTPN1PGK1PGK2PTPN2PTPN6
SCHEMBL12682225 0.86 PGK1 (0.64) PTPN1PGK1PGK2PTPN2PTPN6
SCHEMBL330067 0.83 PTPN1 (0.70) PTPN1PGK1PGK2PTPN2PTPN6
SCHEMBL6947737 0.79 PTPN1 (0.76) PTPN1PGK1PGK2PTPN2PTPN6
SCHEMBL7831965 0.79 PTPN1 (0.75) PTPN1PGK1PGK2PTPN2PTPN6
SCHEMBL267205 0.79 RXRA (0.68)
SCHEMBL3742704 0.79 PTPN1 (0.68) PTPN1PGK1PGK2PTPN2PTPN6
SCHEMBL12467122 0.79 NR1H4 (0.53) PTPN1PTPN2PTPN6PTPN11
SCHEMBL4316970 0.78 PTPN1 (1.00) PTPN1PGK1PGK2PTPN2PTPN6
SCHEMBL7535721 0.78 PGK1 (0.69) PTPN1PGK1PGK2PTPN2PTPN6

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008520575-A 2008-06-19 JP claimed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP claimed
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 US claimed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 WO claimed
US-8445706-B2 Unnatural amino acids capable of covalently modifying protein phosphatases and their use as general and specific inhibitors and probes BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY (US) 2013-05-21 US disclosed
US-7829737-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR, INC. (US) 2010-11-09 US disclosed
US-7829737-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR, INC. (US) 2010-11-09 US disclosed
US-7829737-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR, INC. (US) 2010-11-09 US disclosed
US-20100061936-A1 UNNATURAL AMINO ACIDS CAPABLE OF COVALENTLY MODIFYING PROTEIN PHOSPHATASES AND THEIR USE AS GENERAL AND SPECIFIC INHIBITORS AND PROBES BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY 2010-03-11 US disclosed
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2009-05-21 US disclosed
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2009-05-21 US disclosed
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2009-05-21 US disclosed
US-7504389-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR, INC. (US) 2009-03-17 US disclosed
US-7504389-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR, INC. (US) 2009-03-17 US disclosed
US-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2008-07-03 US disclosed
US-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2008-07-03 US disclosed
US-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2008-07-03 US disclosed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP disclosed
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 US disclosed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 PTPN1 2/4885PGK1 1901/4885PGK2 1459/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 PTPN1 2/4885PGK1 1901/4885PGK2 1459/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 PTPN1 2/4885PGK1 1901/4885PGK2 1459/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.