Sugi Predict

Sugi Predict / Compounds / SCHEMBL2962998

SCHEMBL2962998

SCHEMBL2962998

CC([O])C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA14 Q9ULX7 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ DGAT1 O75907 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NOS1 P29475 2/20 0.35
▸ NOS3 P29474 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ APP P05067 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6207655 0.81 CA12 (0.36) CA14CA12DGAT1CA1CA2
SCHEMBL6207363 0.81 CA12 (0.36) CA14CA12DGAT1CA1CA2
SCHEMBL162214 0.81 CA12 (0.36) CA14CA12DGAT1CA1CA2
SCHEMBL526638 0.80 NOS1 (0.40) CA14CA12DGAT1CA1CA2
SCHEMBL14593925 0.80 DGAT1 (0.39) CA14CA12DGAT1CA1CA2
SCHEMBL108717 0.80 DGAT1 (0.39) CA14CA12DGAT1CA1CA2
SCHEMBL31099064 0.79 CA12 (0.35) CA14CA12DGAT1CA1CA2
SCHEMBL1332536 0.78 TP53 (0.38) CA14CA12DGAT1CA1CA2
SCHEMBL8773691 0.78 DGAT1 (0.37) CA14CA12DGAT1CA1CA2
SCHEMBL9784197 0.78 DGAT1 (0.37) CA14CA12DGAT1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521396-B2 Substituted (thioxo)carbonylaminophenyluracils BAYER CROPSCIENCE AG (DE) 2009-04-21 — — US claimed
US-20060089262-A1 Substituted (thioxo)carbonylamino phenyl uraciles BAYER CROPSCIENCE AG (DE) 2006-04-27 — — US claimed
EP-1503994-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES Bayer CropScience AG (DE) 2005-02-09 — — EP claimed
EP-1077931-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-17 — — EP claimed
WO-2003093244-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES BAYER CROPSCIENCE AG (DE) 2003-11-13 — — WO claimed
CN-106458904-B N-substituted sulfonamide compound and process for producing the same 宇部兴产株式会社 2021-12-03 — — CN disclosed
EP-3156396-B1 METHOD FOR PRODUCING A N-SUBSTITUTED SULFONAMIDE COMPOUND UBE INDUSTRIES (JP) 2021-07-21 — — EP disclosed
CN-106458903-B Method for producing heteroaromatic sulfonamide compound 宇部兴产株式会社 2021-02-05 — — CN disclosed
US-10774072-B2 Crystal of N-substituted sulfonamide compound UBE INDUSTRIES, LTD. (JP) 2020-09-15 — — US disclosed
US-10428046-B2 N-substituted sulfonamide compound and method for producing same UBE INDUSTRIES, LTD. (JP) 2019-10-01 — — US disclosed
EP-3156395-B1 METHOD FOR PRODUCING HETEROAROMATIC SULFONAMIDE COMPOUND UBE INDUSTRIES (JP) 2019-01-09 — — EP disclosed
US-20170121288-A1 METHOD FOR PRODUCING HETEROAROMATIC SULFONAMIDE COMPOUND UBE INDUSTRIES, LTD. (JP) 2017-05-04 — — US disclosed
EP-1101761-A2 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-23 — — EP disclosed
EP-1095935-A1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-02 — — EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 — — WO disclosed
US-5262385-A Pyrimidine ring containing MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1993-11-16 — — US disclosed
EP-0468766-A1 Halogen-containing compounds, herbicidal composition containing the same as an active ingredient, and intermediary compounds therefor Mitsubishi Chemical Corporation (JP) 1992-01-29 — — EP disclosed
US-4751295-A 7-(2-(5-AMINO-1,2,4-THIADIAZOL-3-YL)-2-OXYIMINOACETAMIDO)-3-(3 -(QUATERNARY AMMONIO)-1-PROPEN-1-YL)-3-CEPHEM-4-CARBOXYLATES BRISTOL-MYERS COMPANY (US) 1988-06-14 — — US disclosed
US-4472300-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 — — US disclosed
US-4207234-A 4-Unsubstituted azetidinone derivatives and process for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-06-10 — — 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-10774072-B2 Crystal of N-substituted sulfonamide compound STS, SLC10A6, CA3 CA14 6/4885CA12 11/4885DGAT1 2376/4885
US-10428046-B2 N-substituted sulfonamide compound and method for producing same STS, CA7, CA4 CA14 4/4885CA12 11/4885DGAT1 1656/4885
US-20170121288-A1 METHOD FOR PRODUCING HETEROAROMATIC SULFONAMIDE COMPOUND PFAS, SULT2A1, ARSA CA14 39/4885CA12 31/4885DGAT1 844/4885
US-20060089262-A1 Substituted (thioxo)carbonylamino phenyl uraciles NQO2, TYMP, DPYD CA14 4448/4885CA12 4503/4885DGAT1 3864/4885

“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.