Sugi Predict

Sugi Predict / Compounds / SCHEMBL736773

SCHEMBL736773

SCHEMBL736773

CCC(=O)C(F)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ZDHHC7 Q9NXF8 1/20 0.35
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ SOAT1 P35610 1/20 0.33
▸ CA14 Q9ULX7 2/20 0.32
▸ MIF P14174 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ CES2 O00748 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ LMNA P02545 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
SCHEMBL1366208 0.81 SMN1; SMN2 (0.37) CA1CA2SMN1; SMN2ZDHHC7CA14
SCHEMBL3782518 0.81 SOAT1 (0.44) CA1CA2MGAMGAASI
SCHEMBL27556568 0.81 SOAT1 (0.33) SOAT1CES2ALDH1A1
SCHEMBL28373691 0.79 ALDH1A1 (0.39) SOAT1CES2ALDH1A1TSHR
SCHEMBL19492 0.79 SMN1; SMN2 (0.48) CA1CA2SMN1; SMN2ZDHHC7MGAM
SCHEMBL5492447 0.78 — —
SCHEMBL16829370 0.77 SMN1; SMN2 (0.34) CA1CA2SMN1; SMN2CA14ESR1
SCHEMBL2564479 0.76 SMN1; SMN2 (0.42) CA1CA2SMN1; SMN2ZDHHC7MGAM
SCHEMBL8750495 0.75 SMN1; SMN2 (0.40) CA1CA2SMN1; SMN2ZDHHC7MGAM
SCHEMBL2202426 0.75 SMN1; SMN2 (0.40) CA1CA2SMN1; SMN2ZDHHC7MGAM

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102603530-A Production method of fluoro-methyl propionlyacetae NANTONG DONGCHANG CHEMICAL IND CO LTD 2012-07-25 — — CN claimed
CN-101671309-B Synthesis method of 6-ethyl-4-hydroxyl-5-fluorine-2-cloro pyridine ammonium salt CHANGXING ZHONGHAO CHEMICAL CO LTD 2011-07-20 — — CN claimed
EP-1174415-B1 High purity preparation of fluorinated 1,3-dicarbonyls using BDM (bis-fluoroxydifluoromethane) AIR PROD & CHEM (US) 2003-10-22 — — EP claimed
EP-1174415-A1 High purity preparation of fluorinated 1,3-dicarbonyls using BDM (bis-fluoroxydifluoromethane) AIR PRODUCTS AND CHEMICALS, INC. (US) 2002-01-23 — — EP claimed
US-6307105-B1 ELECTROPHILICALLY FLUORINATING A BETA-DICARBONYL WITH BIS(FLUOROXY)DIFLUOROMETHANE IN THE PRESENCE OF AN ACID AIR PRODUCTS AND CHEMICALS, INC. 2001-10-23 — — US claimed
EP-3683222-B1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-10-06 — — EP disclosed
EP-3683222-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2020-07-22 — — EP disclosed
CN-106456639-B Prodrugs of HIV Reverse Transcriptase Inhibitors 默沙东公司 2019-05-10 — — CN disclosed
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-09-04 — — US disclosed
CN-108473469-A Substituted 3-azabicyclo [3.1.0] hexanes as ketohexokinase inhibitors 辉瑞公司 2018-08-31 — — CN disclosed
CN-104822670-B 5-phenoxy-3H-pyrimidin-4-one derivatives and their use as HIV reverse transcriptase inhibitors 默沙东公司 2018-01-12 — — CN disclosed
CN-106470985-A Indane and indoline derivatives as soluble guanylate cyclase activators and uses thereof 诺华股份有限公司 2017-03-01 — — CN disclosed
EP-1174415-B1 High purity preparation of fluorinated 1,3-dicarbonyls using BDM (bis-fluoroxydifluoromethane) AIR PROD & CHEM (US) 2003-10-22 — — EP disclosed
WO-2003070677-A1 FLUORINATION OF DICARBONYL COMPOUNDS F2 CHEMICALS LIMITED (GB) 2003-08-28 — — WO disclosed
US-6455728-B1 REACTING METHYL-3-OXOPENTANOATE WTIH HYDROGEN FLUORIDE IN PRESENCE OF OXYGEN; BY-PRODUCT INHIBITION; CHEMICAL INTERMEDIATES FOR PRODUCING PHARMACEUTICALS AIR PRODUCTS AND CHEMICALS, INC. 2002-09-24 — — US disclosed
EP-0891962-B1 PROCESS FOR THE PREPARATION OF FLUORINATED DICARBONYL COMPOUNDS F TECH INC (JP) 2002-09-18 — — EP disclosed
EP-1174415-A1 High purity preparation of fluorinated 1,3-dicarbonyls using BDM (bis-fluoroxydifluoromethane) AIR PRODUCTS AND CHEMICALS, INC. (US) 2002-01-23 — — EP disclosed
US-6307105-B1 ELECTROPHILICALLY FLUORINATING A BETA-DICARBONYL WITH BIS(FLUOROXY)DIFLUOROMETHANE IN THE PRESENCE OF AN ACID AIR PRODUCTS AND CHEMICALS, INC. 2001-10-23 — — US disclosed
EP-1095928-A2 Direct fluorination process for preparing high purity alpha-fluoro-beta-dicarbonyl compounds AIR PRODUCTS AND CHEMICALS, INC. (US) 2001-05-02 — — EP disclosed
EP-0891962-A1 PROCESS FOR THE PREPARATION OF FLUORINATED DICARBONYL COMPOUNDS F-TECH INC. (JP) 1999-01-20 — — 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-10065972-B2 Bicyclic or tricyclic heterocyclic compound CBR3, CBR1, CYCS CA1 351/4885CA2 201/4885SMN1; SMN2 3017/4885

“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.