SCHEMBL4029872

SCHEMBL4029872

CCC(=O)C(C)(C)[S+]([O-])CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.36
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 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
SCHEMBL14163791 0.80 FFAR3 (0.33) FFAR3
SCHEMBL4910463 0.75 HMGCR (0.36) FFAR3HMGCRCHRM1TBXA2RADRA1A
SCHEMBL11416604 0.66 ACLY (0.34)
Propionic Acid SCHEMBL28846408 0.63
Propionic Acid SCHEMBL10493407 0.63 FFAR3 (0.67) FFAR3
SCHEMBL6045407 0.62
Propionic Acid SCHEMBL11421514 0.61
SCHEMBL9640216 0.61
SCHEMBL4558912 0.61 TDP1 (0.37) FFAR3
SCHEMBL2177849 0.61

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-1687301-B1 THIAEPOTHILONE FOR TREATING CANCEROUS DISEASES LEIBNIZ INST FUER PFLANZENBIOC (DE) 2009-05-13 EP claimed
EP-1687301-B1 THIAEPOTHILONE FOR TREATING CANCEROUS DISEASES LEIBNIZ INST FUER PFLANZENBIOC (DE) 2009-05-13 EP disclosed
US-7381743-B2 Macrocycles for the treatment of cancer LEIBNIZ-INSTITUT FUER PFLANZENBIOCHEMIE (IPB) (DE) 2008-06-03 US disclosed
US-7381743-B2 Macrocycles for the treatment of cancer LEIBNIZ-INSTITUT FUER PFLANZENBIOCHEMIE (IPB) (DE) 2008-06-03 US disclosed
US-20070105905-A1 Novel macrocycles for the treatment of cancer LEIBNIZ-INSTITUT FUER PFLANZENBIOCHEMIE (IPB) (DE) 2007-05-10 US disclosed
US-20070105905-A1 Novel macrocycles for the treatment of cancer LEIBNIZ-INSTITUT FUER PFLANZENBIOCHEMIE (IPB) (DE) 2007-05-10 US disclosed
EP-1687301-A1 THIAEPOTHILONE FOR TREATING CANCEROUS DISEASES LEIBNIZ-INSTITUT FÜR PFLANZENBIOCHEMIE (IPB) (DE) 2006-08-09 EP disclosed
WO-2005051947-A1 THIAEPOTHILONE FOR TREATING CANCEROUS DISEASES LEIBNIZ-INSTITUT FÜR PFLANZENBIOCHEMIE (IPB) (DE) 2005-06-09 WO 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-20070105905-A1 Novel macrocycles for the treatment of cancer HCCS, FOLR1, AURKAIP1 FFAR3 3736/4885HMGCR 1522/4885CHRM1 4867/4885

“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.