3-Methylbutanoic Acid

3-Methylbutanoic Acid

SCHEMBL4163003

CC(C)CC(=O)O.CS(=O)(=O)c1cccc(-c2ccc3[nH]c(=O)c4[nH]ccc4c3c2)c1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.40
CAMKK2 Q96RR4 2/20 0.38
NR1H2 P55055 4/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
PDPK1 O15530 1/20 0.37
RORC P51449 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
MAP3K5 Q99683 1/20 0.35
PTGS2 P35354 4/20 0.35
LARS1 Q9P2J5 1/20 0.35
GRK6 P43250 1/20 0.35

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
Propionic Acid SCHEMBL4155344 0.90 FASN (0.42) FASNCAMKK2NR1H2PDPK1GRIN2D
Butyric Acid SCHEMBL4153848 0.89 FASN (0.41) FASNCAMKK2NR1H2PDPK1GRIN2D
SCHEMBL4715466 0.88 FASN (0.45) FASNCAMKK2NR1H2PDPK1MAP3K5
SCHEMBL4159560 0.82 VCP (0.41) FASNCAMKK2PDPK1PTGS2
Propionic Acid SCHEMBL4155190 0.82 PTGS2 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Propionic Acid SCHEMBL4153840 0.78 PIM1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
3-Methylbutanoic Acid SCHEMBL4158440 0.78 GABRA1 (0.36) PTGS2
Propionic Acid SCHEMBL4159324 0.77 FASN (0.48) FASNCAMKK2GRIN1GRK6F7
3-Methylbutanoic Acid SCHEMBL4162528 0.77 PIM1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Propionic Acid SCHEMBL4161893 0.76 BRD4 (0.43)

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
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
US-20090176859-A1 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA, LTD. (CA) 2009-07-09 US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 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 (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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 FASN 2527/4885CAMKK2 43/4885NR1H2 2404/4885
US-20090176859-A1 Cathepsin cysteine protease inhibitors CTSE, CTSB, CTSS FASN 3741/4885CAMKK2 614/4885NR1H2 517/4885

“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.