SCHEMBL4031720

SCHEMBL4031720

CCC(=O)CS(C)(C)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HSD11B1 P28845 1/20 0.41
POLB P06746 1/20 0.38
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL28140979 0.84 POLB (0.50) FFAR3POLBHDAC3HDAC1HDAC2
SCHEMBL9637052 0.76
SCHEMBL6644933 0.70
Propionic Acid SCHEMBL31533198 0.68 TDP1 (0.77) FFAR3TDP1HDAC3HDAC1HDAC2
Hydrogen Peroxide SCHEMBL3473511 0.67
SCHEMBL27355780 0.67 TDP1 (0.53) FFAR3TDP1HSD11B1POLBALDH1A1
SCHEMBL9637101 0.66
Bicarbonate SCHEMBL261367 0.65 TDP1 (0.83) FFAR3TDP1HSD11B1HDAC3HDAC1
Propionic Acid SCHEMBL19409 0.64 FFAR3 (1.00) FFAR3TDP1HDAC3HDAC1HDAC2
SCHEMBL42679 0.64

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
EP-1687301-B1 THIAEPOTHILONE FOR TREATING CANCEROUS DISEASES LEIBNIZ INST FUER PFLANZENBIOC (DE) 2009-05-13 EP claimed
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

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 3736/4885TDP1 3923/4885HSD11B1 1188/4885

“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.