SCHEMBL338962

SCHEMBL338962

CC(CP(=O)(O)C(C)O)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.39
LAP3 P28838 1/20 0.39
GABRR1 P24046 2/20 0.38
CYP1A2 P05177 1/20 0.38
TP53 P04637 1/20 0.38
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
FOLH1 Q04609 1/20 0.34

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
SCHEMBL2171977 0.84 ANPEP (0.40) ANPEPLAP3GABRR1CYP1A2FOLH1
SCHEMBL9696243 0.80 ANPEP (0.46) ANPEPLAP3GABRR1
SCHEMBL2171773 0.78 ANPEP (0.37) ANPEPLAP3GABRR1CYP1A2
SCHEMBL1304832 0.78 FOLH1 (0.48) GABRR1CYP1A2FOLH1
SCHEMBL2402598 0.78 GRM3 (0.45) ANPEPLAP3GABRR1CYP1A2FOLH1
SCHEMBL2402574 0.76 GABRR1 (0.43) ANPEPLAP3GABRR1CYP1A2FOLH1
SCHEMBL4326971 0.74 LAP3 (0.49) ANPEPLAP3GABRR1CYP1A2FOLH1
SCHEMBL2990298 0.73 GABRR1 (0.42) GABRR1CYP1A2TP53FOLH1
SCHEMBL338990 0.73 GABRR1 (0.38) ANPEPLAP3GABRR1CYP1A2FOLH1
SCHEMBL339921 0.73 GRM3 (0.41) ANPEPLAP3GABRR1CYP1A2FOLH1

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 4 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
EP-1832594-B1 Compounds of mono-carboxyl functionalised dialkylphosphine acid salts, a method for their manufacture and their application CLARIANT FINANCE BVI LTD (VG) 2011-05-18 EP 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
EP-1832594-A1 Compounds of mono-carboxyl functionalised dialkylphosphine acid salts, a method for their manufacture and their application CLARIANT INTERNATIONAL LTD. (CH) 2007-09-12 EP 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 ANPEP 1542/4885LAP3 2642/4885GABRR1 506/4885

“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.