SCHEMBL5897152

SCHEMBL5897152

O=P(O)(O)CC(O)(c1ccccc1)P(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.50
FDPS P14324 5/20 0.46
PGK1 P00558 6/20 0.42
PGK2 P07205 6/20 0.42
PTPN5 P54829 2/20 0.41
BTN3A1 O00481 1/20 0.39
PDE3A Q14432 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
CFTR P13569 1/20 0.38
SRC P12931 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL15533205 0.82 FDPS (0.53) FDPSBTN3A1PDE3ACYP2C9CYP2C19
SCHEMBL5897912 0.80 PTPN1 (0.39) PTPN1FDPSPGK1PGK2MEN1
SCHEMBL4725467 0.80 FDPS (0.51) FDPSBTN3A1PDE3ACYP2C9CYP2C19
SCHEMBL8146948 0.80 PTPN1 (0.50) PTPN1FDPSPGK1PGK2PTPN5
SCHEMBL3075659 0.78 PTPN1 (0.52) PTPN1FDPSPGK1PGK2PTPN5
SCHEMBL8353857 0.78 PTPN1 (0.52) PTPN1FDPSPGK1PGK2PTPN5
SCHEMBL8149759 0.76 PTPN1 (0.46) PTPN1FDPSPGK1PGK2PTPN5
SCHEMBL28669906 0.75 PTPN1 (0.48) PTPN1FDPSPGK1PGK2PTPN5
SCHEMBL9244523 0.74 PTPN1 (0.48) PTPN1FDPSPGK1PGK2PTPN5
SCHEMBL9222814 0.74 FDPS (0.50) FDPSPGK1PGK2BTN3A1PDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005533-B2 Bisphosphonate derivatives, their preparations and uses UNIVERSITE PARIS 13 (FR) 2006-02-28 US disclosed
US-20040266735-A1 Bisphosphonate derivatives, their preparations and uses UNIVERSITE PARIS 13 2004-12-30 US disclosed
US-20030036537-A1 Bisphosphonate derivatives, their preparations and uses UNIVERSITE PARIS, 13 (FR) 2003-02-20 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 (2 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-20030036537-A1 Bisphosphonate derivatives, their preparations and uses BPGM, PPIP5K2, PTEN PTPN1 1016/4885FDPS 36/4885PGK1 86/4885
US-20040266735-A1 Bisphosphonate derivatives, their preparations and uses BPGM, PPIP5K2, PTEN PTPN1 1016/4885FDPS 36/4885PGK1 86/4885

“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.