SCHEMBL4475444

SCHEMBL4475444

CCCC(SC)(SC)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.32
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 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
FDPS P14324 2/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL7878320 0.79 ALDH1A1 (0.33) FFAR3ALDH1A1MEN1CYP1A2THRB
SCHEMBL4481064 0.78 RNPEP (0.35) ALDH1A1
SCHEMBL4478271 0.76 RNPEP (0.34) ALDH1A1
SCHEMBL11108269 0.73 ALDH1A1 (0.33) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL28465608 0.73
SCHEMBL9273470 0.72 CYP2C19 (0.46) FFAR3ALDH1A1
SCHEMBL28674776 0.71 FDPS (0.41) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL288789 0.71 FDPS (0.41) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL2235565 0.70
SCHEMBL5689354 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173700-B1 METHOD FOR THE PRODUCTION OF KETOACIDS AND THEIR DERIVATIVES EVONIK DEGUSSA GMBH (DE) 2015-01-28 EP disclosed
EP-2173700-B1 METHOD FOR THE PRODUCTION OF KETOACIDS AND THEIR DERIVATIVES EVONIK DEGUSSA GMBH (DE) 2015-01-28 EP disclosed
US-8299293-B2 Process for preparing α-keto acids and derivatives thereof EVONIK DEGUSSA GMBH (DE) 2012-10-30 US disclosed
US-8299293-B2 Process for preparing α-keto acids and derivatives thereof EVONIK DEGUSSA GMBH (DE) 2012-10-30 US disclosed
US-8299293-B2 Process for preparing α-keto acids and derivatives thereof EVONIK DEGUSSA GMBH (DE) 2012-10-30 US disclosed
US-20090076302-A1 PROCESS FOR PREPARING a-KETO ACIDS AND DERIVATIVES THEREOF EVONIK DEGUSSA GMBH (DE) 2009-03-19 US disclosed
US-20090076302-A1 PROCESS FOR PREPARING a-KETO ACIDS AND DERIVATIVES THEREOF EVONIK DEGUSSA GMBH (DE) 2009-03-19 US disclosed
US-20090076302-A1 PROCESS FOR PREPARING a-KETO ACIDS AND DERIVATIVES THEREOF EVONIK DEGUSSA GMBH (DE) 2009-03-19 US disclosed
WO-2009007193-A1 METHOD FOR THE PRODUCTION OF KETOACIDS AND THEIR DERIVATIVES EVONIK DEGUSSA GMBH (DE) 2009-01-15 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-20090076302-A1 PROCESS FOR PREPARING a-KETO ACIDS AND DERIVATIVES THEREOF BCKDK, KHK, ADSL FFAR3 2047/4885HDAC3 4393/4885HDAC1 4115/4885

“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.