SCHEMBL339643

SCHEMBL339643

CCCP(=O)(O)C(CC)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.35
GPR84 Q9NQS5 4/20 0.33
GCLC P48506 1/20 0.32
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
MMP8 P22894 1/20 0.31
CA9 Q16790 1/20 0.31
LAP3 P28838 1/20 0.31
FDPS P14324 1/20 0.31
SLC22A6 Q4U2R8 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
SCHEMBL339431 0.89 GPR84 (0.39) GPR84CA2FDPS
SCHEMBL339817 0.87 LPAR3 (0.44) GPR84
SCHEMBL339802 0.86 PPARD (0.35) FOLH1GCLCCA12CA1CA2
SCHEMBL339376 0.85 LPAR3 (0.47) GPR84
SCHEMBL339100 0.83 FOLH1 (0.38) FOLH1GPR84CA12CA1CA2
SCHEMBL19455883 0.83 FDPS (0.39) LAP3FDPS
Butane SCHEMBL7715957 0.79 FOLH1 (0.42) FOLH1GPR84CA2LAP3FDPS
SCHEMBL8781578 0.79 FOLH1 (0.45) FOLH1CA12CA1CA2MMP1
SCHEMBL2976107 0.79 FOLH1 (0.40) FOLH1GPR84CA12CA1CA2
SCHEMBL339732 0.78 FOLH1 (0.38) FOLH1GCLCMMP1MMP2LAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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-20070213563-A1 Mixtures composed of monocarboxy-functionalized dialkylphosphinic acid salts, their use und a process for their preparation CLARIANT INTERNATIONAL LTD 2007-09-13 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
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 (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-20070213563-A1 Mixtures composed of monocarboxy-functionalized dialkylphosphinic acid salts, their use und a process for their preparation DBH, HBB, ALKBH3 FOLH1 4677/4885GPR84 1397/4885GCLC 4392/4885
US-20070213436-A1 Mixtures composed or monocarboxy-functionalized dialkylphosphinic acids, their use and a process for their preparation PAH, ALKBH3, FTO FOLH1 2833/4885GPR84 487/4885GCLC 4596/4885

“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.