SCHEMBL3733002

SCHEMBL3733002

O=P(O)(Oc1cc2ccccc2cc1Br)C(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.44
GPR84 Q9NQS5 3/20 0.42
PTPN1 P18031 5/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SRC P12931 2/20 0.34
PARG Q86W56 1/20 0.33
PTPN2 P17706 1/20 0.33
ANPEP P15144 1/20 0.32
LAP3 P28838 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
CETP P11597 1/20 0.31

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
SCHEMBL2691549 0.84 PTPN1 (0.51) NCEH1PTPN1PTPN2
SCHEMBL3733000 0.84 NCEH1 (0.43) NCEH1GPR84PTPN1KDM4EALDH1A1
SCHEMBL2693728 0.82 SRC (0.38) NCEH1PTPN1ALDH1A1HPGDSRC
SCHEMBL3261471 0.81 PTPN1 (0.54) NCEH1PTPN1SRCPTPN2
SCHEMBL16447669 0.81 PTPN1 (0.54) NCEH1PTPN1SRCPTPN2
SCHEMBL2691068 0.81 CYP2A6 (0.39) NCEH1PTPN1ALDH1A1HPGD
SCHEMBL2691291 0.78 PTPN1 (0.57) PTPN1KDM4ESRCPTPN2
SCHEMBL7593824 0.77 FTO (0.37) PTPN1
SCHEMBL3747224 0.76 MEN1 (0.32)
SCHEMBL3735173 0.76 HPGD (0.39) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504389-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR, INC. (US) 2009-03-17 US claimed
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-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
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 NCEH1 170/4885GPR84 3847/4885PTPN1 2/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 NCEH1 170/4885GPR84 3847/4885PTPN1 2/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 NCEH1 170/4885GPR84 3847/4885PTPN1 2/4885

“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.