Dimebutic Acid

Dimebutic Acid

SCHEMBL1962002

CCC(C)(C)C(=O)[O-].CCC(C)(C)C(=O)[O-].[Mg+2]

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of Dimebutic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
RIPK1 Q13546 4/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CA1 P00915 3/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CA4 P22748 1/20 0.31
BBOX1 O75936 1/20 0.30

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
Dimebutic Acid SCHEMBL8383026 0.94 FFAR3 (0.35) FFAR3HDAC3HDAC1HDAC2HDAC8
Dimebutic Acid SCHEMBL13517329 0.94
Dimebutic Acid SCHEMBL28581861 0.94 FFAR3 (0.35) FFAR3HDAC3HDAC1HDAC2HDAC8
Dimebutic Acid SCHEMBL8383022 0.94 FFAR3 (0.35) FFAR3HDAC3HDAC1HDAC2HDAC8
Dimebutic Acid SCHEMBL2990627 0.94
Dimebutic Acid SCHEMBL8748037 0.94 FFAR3 (0.35) FFAR3HDAC3HDAC1HDAC2HDAC8
Dimebutic Acid SCHEMBL28444778 0.94 FFAR3 (0.35) FFAR3HDAC3HDAC1HDAC2HDAC8
Dimebutic Acid SCHEMBL1964556 0.94
Dimebutic Acid SCHEMBL15022227 0.94
Dimebutic Acid SCHEMBL1055425 0.94 FFAR3 (0.35) FFAR3HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018176-B2 Inducers of hematopoiesis and fetal globin production for treatment of cytopenias and hemoglobin disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-28 US disclosed
WO-2015026939-A1 CHEMICAL INDUCERS OF FETAL HEMOGLOBIN PHOENICIA BIOSCIENCES, INC. (US) 2015-02-26 WO disclosed
US-8618068-B2 Methods and low dose regimens for treating red blood cell disorders TRUSTEES OF BOSTON UNIVERSITY (US) 2013-12-31 US disclosed
EP-2509418-A1 METHODS AND LOW DOSE REGIMENS FOR TREATING RED BLOOD CELL DISORDERS Hemaquest Pharmaceuticals, Inc. (US) 2012-10-17 EP disclosed
WO-2011072086-A9 METHODS AND LOW DOSE REGIMENS FOR TREATING RED BLOOD CELL DISORDERS HEMAQUEST PHARMACEUTICALS, INC. (US) 2012-09-27 WO disclosed
US-20110251149-A1 METHODS AND LOW DOSE REGIMENS FOR TREATING RED BLOOD CELL DISORDERS TRUSTEES OF BOSTON UNIVERSITY (US) 2011-10-13 US disclosed
WO-2011072086-A1 METHODS AND LOW DOSE REGIMENS FOR TREATING RED BLOOD CELL DISORDERS HEMAQUEST PHARMACEUTICALS, INC. (US) 2011-06-16 WO 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-20110251149-A1 METHODS AND LOW DOSE REGIMENS FOR TREATING RED BLOOD CELL DISORDERS HBB, HBZ, HBG2 FFAR3 2971/4885HDAC3 7/4885HDAC1 15/4885

“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.