Sugi Predict

Sugi Predict / Compounds / Butyric Acid

Butyric Acid

Butyric Acid

SCHEMBL3040683

CCCC(=O)O.CCCC(=O)O.CCCCCCCC(CC)C(=O)O

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ FFAR4 Q5NUL3 2/20 0.55
▸ FFAR1 O14842 2/20 0.55
▸ GRIK1 P39086 2/20 0.54
▸ GRIK2 Q13002 2/20 0.54
▸ GPR84 Q9NQS5 7/20 0.52
▸ PPARG P37231 7/20 0.52
▸ PPARD Q03181 7/20 0.52
▸ PPARA Q07869 7/20 0.52
▸ HDAC11 Q96DB2 5/20 0.52
▸ TSHR P16473 4/20 0.52
▸ PTPN1 P18031 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ TLR2 O60603 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ FABP4 P15090 2/20 0.52
▸ SLC22A6 Q4U2R8 1/20 0.52
▸ SLC22A8 Q8TCC7 1/20 0.52
▸ MEN1 O00255 1/20 0.52

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 SCHEMBL7353262 1.00 CA2 (0.68) CA2MAPK1FFAR4FFAR1GRIK1
Butyric Acid SCHEMBL7866431 1.00 CA2 (0.68) CA2MAPK1FFAR4FFAR1GRIK1
Butyric Acid SCHEMBL2898631 1.00 CA2 (0.68) CA2MAPK1FFAR4FFAR1GRIK1
Butyric Acid SCHEMBL4739546 1.00 CA2 (0.68) CA2MAPK1FFAR4FFAR1GRIK1
Butyric Acid SCHEMBL4740443 1.00 CA2 (0.68) CA2MAPK1FFAR4FFAR1GRIK1
Butyric Acid SCHEMBL2683595 1.00 CA2 (0.68) CA2MAPK1FFAR4FFAR1GRIK1
Butyric Acid SCHEMBL2898496 1.00 CA2 (0.68) CA2MAPK1FFAR4FFAR1GRIK1
Butyric Acid SCHEMBL8469380 0.98 CA2 (0.70) CA2MAPK1FFAR4FFAR1GRIK1
2-Ethylhexanoic Acid SCHEMBL10545013 0.93 CA2 (0.69) CA2MAPK1FFAR4FFAR1GPR84
Undecanoate SCHEMBL9955968 0.93 CA2 (0.68) CA2MAPK1FFAR4FFAR1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9476196-B2 Waterproofing membrane GCP APPLIED TECHNOLOGIES INC. (US) 2016-10-25 — — US disclosed
US-20150052847-A1 WATERPROOFING MEMBRANE VERIFI LLC 2015-02-26 — — US disclosed
EP-1751111-B1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-12-31 — — EP disclosed
EP-2771522-A1 WATERPROOFING MEMBRANE W.R. Grace & CO. - CONN. (US) 2014-09-03 — — EP disclosed
WO-2013063197-A1 WATERPROOFING MEMBRANE W. R. GRACE & CO.-CONN. (US) 2013-05-02 — — WO disclosed
US-20100256182-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES AISSAOUI HAMED 2010-10-07 — — US disclosed
US-7763638-B2 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-27 — — US disclosed
EP-1644371-B1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS AVENTIS PHARMA INC (US) 2008-02-13 — — EP disclosed
US-20070191424-A1 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2007-08-16 — — US disclosed
EP-1751111-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2007-02-14 — — EP disclosed
US-7132428-B2 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders AVENTIS PHARMACEUTICALS INC. (US) 2006-11-07 — — US disclosed
CN-1802373-A Pyrazoloisoquinoline derivatives as kinase inhibitors AVENTIS PHARMA INC (US) 2006-07-12 — — CN disclosed
EP-1644371-A1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-04-12 — — EP disclosed
WO-2005118548-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-12-15 — — WO disclosed
WO-2005012301-A1 PYRAZOLOISOQUINOLINE DERIVATIVES AS KINASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-10 — — WO disclosed
US-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-01-13 — — US disclosed
US-6841556-B2 Pyrazoloisoquinoline derivatives for inhibiting NFκB-inducing kinase AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-11 — — US disclosed
US-20040097541-A1 Pyrazoloisoquinoline derivatives for inhibiting NFkappaB-inducing kinase AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-20 — — 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 (4 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-20040097541-A1 Pyrazoloisoquinoline derivatives for inhibiting NFkappaB-inducing kinase NFKBIA, IKBKB, IKBKG CA2 4714/4885MAPK1 93/4885FFAR4 3533/4885
US-20100256182-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES CYP4B1, RECQL, NQO1 CA2 2635/4885MAPK1 3319/4885FFAR4 2032/4885
US-20050009859-A1 Pyrazoloisoquinoline derivative as kinase inhibitors for the treatment of various disorders PRKDC, MAP3K2, MAP3K20 CA2 4672/4885MAPK1 71/4885FFAR4 4127/4885
US-20070191424-A1 Substituted 1,2,3,4-tetrahydroisoquinoline derivatives CPT1A, NQO1, COQ8A CA2 3634/4885MAPK1 3291/4885FFAR4 1896/4885

“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.