SCHEMBL1089194

SCHEMBL1089194

CC(C)C(=O)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
TSHR P16473 1/20 0.32
CTSK P43235 2/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CTSS P25774 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
SCHEMBL8868010 0.80 DGAT1 (0.33) DGAT1CA1CA2CA7CA12
SCHEMBL29488702 0.80 DGAT1 (0.33) DGAT1CA1CA2CA7CA12
SCHEMBL11387554 0.80 DGAT1 (0.33) DGAT1CA1CA2CA7CA12
SCHEMBL7474314 0.77 TSHR (0.42) DGAT1CA1CA2CA7CA12
SCHEMBL1088727 0.77 CA1 (0.35) DGAT1CA1CA2CA7CA12
SCHEMBL17109641 0.77 CA12 (0.36) DGAT1CA1CA2CA7CA12
SCHEMBL30689516 0.77 CA12 (0.36) DGAT1CA1CA2CA7CA12
SCHEMBL10608008 0.77 SLC7A5 (0.41) DGAT1CA1CA2CA7CTSK
SCHEMBL8843937 0.77 CA1 (0.35) DGAT1CA1CA2CA7CTSK
SCHEMBL17240285 0.77 SLC7A5 (0.41) DGAT1CA1CA2CA7CTSK

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-9724379-B2 Therapeutic agents with improved fibrinogen binding HAEMOSTATIX LIMITED (GB) 2017-08-08 US disclosed
CN-104974001-A Method for synthesizing beta-branched chain alpha-amino ester CHINESE ACAD INST CHEMISTRY 2015-10-14 CN disclosed
US-8153839-B2 Method for synthesis of keto acids or amino acids by hydration of acetylene compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-04-10 US disclosed
US-20090216044-A1 METHOD FOR SYNTHESIS OF KETO ACIDS OR AMINO ACIDS BY HYDRATION OF ACETYLENE COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-08-27 US disclosed
EP-1932824-A1 METHOD FOR SYNTHESIS OF KETO ACID OR AMINO ACID BY HYDRATION OF ACETHYLENE COMPOUND Japan Science and Technology Agency (JP) 2008-06-18 EP disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP 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-20090216044-A1 METHOD FOR SYNTHESIS OF KETO ACIDS OR AMINO ACIDS BY HYDRATION OF ACETYLENE COMPOUND AADAT, BCAT2, BCAT1 DGAT1 1744/4885CA1 4/4885CA2 28/4885

“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.