SCHEMBL3736057

SCHEMBL3736057

CC(=O)NCCc1ccc(C(F)(F)P(=O)(O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.62
PTPN2 P17706 4/20 0.62
PTPN6 P29350 4/20 0.62
PTPN11 Q06124 3/20 0.62
KDM4E B2RXH2 2/20 0.55
F13A1 P00488 1/20 0.55
PGK1 P00558 2/20 0.54
PGK2 P07205 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
ESRRG P62508 1/20 0.50
PTPRC P08575 2/20 0.49
PTPRB P23467 2/20 0.49
CDC25A P30304 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
PTGS1 P23219 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48

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
SCHEMBL5532064 0.84 PTPN1 (0.45) PTPN1PTPN2PTPN6PTPN11KDM4E
SCHEMBL1008256 0.83 KDM4E (0.64) KDM4EF13A1SMN1; SMN2ESRRGALDH1A1
SCHEMBL3741701 0.79 PTPN1 (0.60) PTPN1PTPN2KDM4EF13A1SMN1; SMN2
SCHEMBL10592850 0.79 KDM4E (0.84) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL12184914 0.78 ESRRG (0.67) KDM4EF13A1SMN1; SMN2ESRRGALDH1A1
SCHEMBL4316970 0.77 PTPN1 (1.00) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL20672233 0.77 PTPN1 (0.78) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL13372416 0.77 PTPN1 (0.62) PTPN1PTPN2PTPN6PTPN11PGK1
SCHEMBL27458185 0.75 KDM4E (0.62) KDM4EF13A1SMN1; SMN2ESRRGALDH1A1
SCHEMBL330067 0.75 PTPN1 (0.70) PTPN1PTPN2PTPN6PTPN11PGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101094677-A Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR INC (US) 2007-12-26 CN claimed
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 US claimed
US-7829737-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR, INC. (US) 2010-11-09 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-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2008-07-03 US disclosed
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 US 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 2/4885PTPN2 5/4885PTPN6 10/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 PTPN1 2/4885PTPN2 5/4885PTPN6 10/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 PTPN1 2/4885PTPN2 5/4885PTPN6 10/4885

“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.