SCHEMBL4861447

SCHEMBL4861447

O=P(O)(Oc1cc(C(F)(F)F)ccc1Br)C(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
MMP2 P08253 2/20 0.36
ACP3 P15309 4/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CES2 O00748 2/20 0.32
PTPN1 P18031 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL3747224 0.80 MEN1 (0.32)
SCHEMBL3743442 0.79 PTPN1 (0.38) MAPTKDM4EUSP2HPGDCYP2C19
SCHEMBL3735140 0.79
SCHEMBL3735173 0.77 HPGD (0.39) CA12CA1ACP3ALDH1A1HPGD
SCHEMBL3737738 0.73 KDM4E (0.43) KDM4ESMN1; SMN2
SCHEMBL22027922 0.73 FFAR1 (0.38) NPSR1MAPTXBP1KDM4EUSP2
SCHEMBL30994947 0.73 FFAR1 (0.38) NPSR1MAPTXBP1KDM4EUSP2
SCHEMBL7188041 0.72 ACP3 (0.44) ACP3PTPN1
SCHEMBL11307761 0.70 ACP3 (0.36) NPSR1MAPTXBP1CA12CA1
SCHEMBL5390873 0.69 NPC1 (0.35) MAPTKDM4EALDH1A1CYP2C19PGK1

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
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
CN-101094677-A Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR INC (US) 2007-12-26 CN disclosed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP 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 (1 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-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 NPSR1 3741/4885MAPT 3112/4885XBP1 1022/4885

“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.