SCHEMBL5986554

SCHEMBL5986554

CCc1cc(C(F)(F)P(=O)(O)O)c([N+](=O)[O-])c(CC)c1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 4/20 0.42
PGK2 P07205 4/20 0.42
GRIN2D O15399 3/20 0.34
GRIN3B O60391 3/20 0.34
GRIN1 Q05586 3/20 0.34
GRIN2A Q12879 3/20 0.34
GRIN2B Q13224 3/20 0.34
GRIN2C Q14957 3/20 0.34
GRIN3A Q8TCU5 3/20 0.34
PTPN5 P54829 2/20 0.34
PTPN1 P18031 3/20 0.33
PTPN2 P17706 2/20 0.33
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL5987314 0.79 PGK1 (0.47) PGK1PGK2PTPN5PTPN1PTPN2
SCHEMBL4009976 0.78 PGK1 (0.46) PGK1PGK2PTPN5PTPN1PTPN2
SCHEMBL2033188 0.71 PGK1 (0.38) PGK1PGK2PTPN5PTPN1ALDH1A1
SCHEMBL5404370 0.70 PGK1 (0.42) PGK1PGK2PTPN5PTPN1PTPN2
SCHEMBL4005577 0.68 PGK1 (0.44) PGK1PGK2PTPN5PTPN1PTPN2
SCHEMBL5391918 0.67 PGK1 (0.42) PGK1PGK2PTPN5PTPN1PTPN2
SCHEMBL3737962 0.66 TSHR (0.51) PGK1PGK2PTPN5PTPN1ALDH1A1
SCHEMBL11694096 0.65 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11691152 0.65 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28672161 0.63 TSHR (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 PGK1 1901/4885PGK2 1459/4885GRIN2D 4439/4885

“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.