3-Methylbutanoic Acid

3-Methylbutanoic Acid

SCHEMBL2165073

CC(C)CC(=O)O.CCC(C)NCC(=O)O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
MAPT P10636 1/20 0.35
PTGS2 P35354 1/20 0.35
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL13774332 0.89
SCHEMBL164712 0.89
SCHEMBL1581176 0.89
SCHEMBL16267280 0.87 MME (0.42) MMEACECPA1ACE2LMNA
Acetic Acid SCHEMBL2164074 0.85 MME (0.41) MMEACECPA1ACE2LMNA
SCHEMBL8061118 0.83 TDP1 (0.43) MMEACECPA1ACE2LMNA
SCHEMBL14895484 0.81 CYP2D6 (0.38) MMEACECPA1ACE2LMNA
Alanine SCHEMBL28537181 0.80 LMNA (0.39) MMEACECPA1ACE2LMNA
Levulinic Acid SCHEMBL2164392 0.77 LMNA (0.52) MMEACECPA1ACE2LMNA
SCHEMBL19091099 0.76 MME (0.46) MMEACECPA1ACE2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 MME 57/4885ACE 19/4885CPA1 65/4885

“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.