Butyric Acid

Butyric Acid

SCHEMBL4157941

CC(C(=O)OC(C)(C)C)N1CC[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)c4[nH]ccc4c3c2)C1.CCCC(=O)O

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 1/20 0.38
BRAF P15056 2/20 0.35
BRD4 O60885 4/20 0.34
TDP1 Q9NUW8 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
CCR8 P51685 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CNR1 P21554 2/20 0.32
PTGDR Q13258 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 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
SCHEMBL4717788 0.94 PARG (0.42) PARGBRAFBRD4TDP1JAK2
SCHEMBL4157940 0.84 PARG (0.34) PARGBRAFBRD4TDP1CCR8
SCHEMBL3255657 0.83 PARG (0.38) PARGBRAFBRD4TDP1CCR8
SCHEMBL3255653 0.83 PARG (0.38) PARGBRAFBRD4TDP1CCR8
Butyric Acid SCHEMBL4161248 0.82 PARG (0.55) PARGBRAFBRD4TDP1TSHR
SCHEMBL4718793 0.80 CNR1 (0.46) PARGBRAFBRD4TDP1CNR1
Butyric Acid SCHEMBL4164937 0.79 PARG (0.49) PARGBRAFBRD4TDP1CCR8
Butyric Acid SCHEMBL4162687 0.79 BRD4 (0.45) BRD4JAK2JAK1KDM4EALDH1A1
Butyric Acid SCHEMBL4161883 0.79 BRD4 (0.45) BRD4JAK2JAK1KDM4EALDH1A1
Propionic Acid SCHEMBL4153577 0.77 PARG (0.57) PARGBRAFTDP1KDM4EPTGDR

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 PARG 3507/4885BRAF 38/4885BRD4 545/4885

“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.