SCHEMBL339955

SCHEMBL339955

CC(C(=O)O)C(C)P(=O)(O)C(C)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.36
LAP3 P28838 3/20 0.32
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
RNPEP Q9H4A4 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
CA9 Q16790 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
SCHEMBL2984813 0.79 TP53 (0.38) TP53RNPEPCA12CA1CA2
SCHEMBL11418234 0.74
SCHEMBL338687 0.71 ANPEP (0.35) TP53LAP3RNPEPMMP1MMP2
SCHEMBL339854 0.70 LAP3 (0.42) LAP3RNPEPMMP1MMP8
Lactic Acid SCHEMBL1840424 0.69 TP53 (0.73) TP53TSHRLAP3PGK1PGK2
Lactic Acid SCHEMBL6273455 0.69 TP53 (0.73) TP53TSHRLAP3PGK1PGK2
SCHEMBL2988978 0.68 RNPEP (0.34) TP53RNPEPMMP1MMP2
SCHEMBL12951567 0.68 TP53 (0.60) TP53TSHRRNPEP
SCHEMBL812149 0.67 TP53 (0.57) TP53TSHRRNPEP
SCHEMBL812166 0.67 TP53 (0.57) TP53TSHRRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097753-B2 Mixtures composed or monocarboxy-functionalized dialkylphosphinic acids, their use and a process for their preparation CLARIANT FINANCE (BVI) LIMITED (VG) 2012-01-17 US disclosed
US-20070213436-A1 Mixtures composed or monocarboxy-functionalized dialkylphosphinic acids, their use and a process for their preparation CLARIANT INTERNATIONAL LTD 2007-09-13 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-20070213436-A1 Mixtures composed or monocarboxy-functionalized dialkylphosphinic acids, their use and a process for their preparation PAH, ALKBH3, FTO TP53 3257/4885TSHR 142/4885LAP3 2642/4885

“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.