Butyric Acid

Butyric Acid

SCHEMBL4173769

CC(C)(C)OC(=O)NC1CC[C@H](S(=O)(=O)c2cc3c(cc2Cl)[nH]c(=O)c2[nH]ccc23)C1.CCCC(=O)O

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.38
KAT5 Q92993 1/20 0.38
JAK1 P23458 5/20 0.36
DDR1 Q08345 4/20 0.36
JAK2 O60674 2/20 0.35
JAK3 P52333 2/20 0.35
TYK2 P29597 1/20 0.35
BTK Q06187 2/20 0.34
MAPK8 P45983 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
IGF1R P08069 1/20 0.32
CYP3A4 P08684 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32

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
Butyric Acid SCHEMBL4161192 0.83 ROCK2 (0.33)
SCHEMBL4173768 0.83 KAT6A (0.35) KAT6AKAT5DDR1BTKMAPK8
SCHEMBL3244356 0.81 BTK (0.40) KAT6AKAT5JAK1DDR1JAK2
SCHEMBL3244351 0.81 BTK (0.40) KAT6AKAT5JAK1DDR1JAK2
Butyric Acid SCHEMBL4161883 0.77 BRD4 (0.45) JAK1DDR1JAK2JAK3KMT2A
Butyric Acid SCHEMBL4162687 0.77 BRD4 (0.45) JAK1DDR1JAK2JAK3KMT2A
Butyric Acid SCHEMBL4171746 0.74 PKM (0.37) DDR1L3MBTL1BRD4
Butyric Acid SCHEMBL4161012 0.73 ALDH1A1 (0.36) KMT2AL3MBTL1BRD4
SCHEMBL4717873 0.73 ROCK2 (0.35)
Butyric Acid SCHEMBL4166107 0.70 BRAF (0.33) BRD4

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-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 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 (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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 KAT6A 2033/4885KAT5 2720/4885JAK1 136/4885

“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.