Sugi Predict

Sugi Predict / Compounds / SCHEMBL3899462

SCHEMBL3899462

SCHEMBL3899462

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ STING1 Q86WV6 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ DGAT1 O75907 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ CA12 O43570 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ ACE P12821 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ CTSK P43235 2/20 0.31
▸ MLYCD O95822 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
SCHEMBL10501119 0.98 HDAC6 (0.36) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL6738496 0.86 EPHX2 (0.39) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL20872192 0.85 HDAC3 (0.33) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL6740235 0.84 FOLH1 (0.44) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL644646 0.84 TSHR (0.45) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL2676200 0.82 EPHX2 (0.43) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL11965912 0.81 GAA (0.32) TSHRHSD17B10ACE
SCHEMBL331236 0.81 TSHR (0.32) TSHRHSD17B10ACE
SCHEMBL18266766 0.79 ALDH1A1 (0.33) TSHRHSD17B10TDP1
SCHEMBL25887012 0.79 TSHR (0.34) TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107206770-B Photocurable adhesive composition, its preparation and use 汉高股份有限及两合公司 2020-09-08 — — CN claimed
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
WO-2003093244-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES BAYER CROPSCIENCE AG (DE) 2003-11-13 — — WO claimed
CN-118666690-A Binuclear quaternary ammonium salt ionic liquid compound and application thereof 中国药科大学 2024-09-20 — — CN disclosed
US-12024549-B2 Compound having affinity substance to soluble protein, cleavable portion and reactive group, or salt thereof AJINOMOTO CO., INC. (JP) 2024-07-02 — — US disclosed
CN-118146160-A Preparation method and application of metazopyr and intermediate thereof 浙江财和生物科技有限公司 2024-06-07 — — CN disclosed
CN-116829573-A Compounds or salts thereof, and antibodies derived therefrom 味之素株式会社 2023-09-29 — — CN disclosed
CN-107390472-B Chemically amplified positive photosensitive resin composition 东京应化工业株式会社 2022-09-06 — — CN disclosed
CN-111518228-B Preparation method of sugammadex sodium 鲁南制药集团股份有限公司 2022-08-05 — — CN disclosed
US-20210139549-A1 COMPOUND HAVING AFFINITY SUBSTANCE TO ANTIBODY, CLEAVABLE PORTION, AND REACTIVE GROUP, OR SALT THEREOF AJINOMOTO CO., INC. (JP) 2021-05-13 — — US disclosed
US-20040043903-A1 Herbicides; applying to plants BASF AKTIENGESELLSCHAFT (DE) 2004-03-04 — — US disclosed
US-20040023807-A1 3-Arylisothiazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2004-02-05 — — US disclosed
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-11-20 — — US disclosed
WO-2003093244-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES BAYER CROPSCIENCE AG (DE) 2003-11-13 — — WO disclosed
EP-0080969-B1 A METHOD OF REMOVING RESIDUAL ACRYLONITRILE FROM LATEX SYSTEMS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1986-02-05 — — EP disclosed
US-4399253-A REACTION WITH THIOL THE GOODYEAR TIRE & RUBBER COMPANY (US) 1983-08-16 — — US disclosed
EP-0080969-A1 A method of removing residual acrylonitrile from latex systems THE GOODYEAR TIRE & RUBBER COMPANY (US) 1983-06-08 — — EP disclosed
WO-1980002025-A1 BICYCLIC OXO-THIOLACTONES AMERICAN HOME PROD (US) 1980-10-02 — — 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 (6 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-20040023807-A1 3-Arylisothiazoles and their use as herbicides DDT, HAX1, SULT1E1 HDAC6 1963/4885HDAC1 1926/4885HDAC2 2226/4885
US-12024549-B2 Compound having affinity substance to soluble protein, cleavable portion and reactive group, or salt thereof SPPL2B, CSTB, SPPL2A HDAC6 3971/4885HDAC1 3154/4885HDAC2 3887/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 HDAC6 3098/4885HDAC1 2604/4885HDAC2 2178/4885
US-20060089262-A1 Substituted (thioxo)carbonylamino phenyl uraciles NQO2, TYMP, DPYD HDAC6 2829/4885HDAC1 3286/4885HDAC2 4050/4885
US-20210139549-A1 COMPOUND HAVING AFFINITY SUBSTANCE TO ANTIBODY, CLEAVABLE PORTION, AND REACTIVE GROUP, OR SALT THEREOF FCGR3B, FCGR2A, FCGR1A HDAC6 2469/4885HDAC1 1950/4885HDAC2 2662/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 HDAC6 1499/4885HDAC1 923/4885HDAC2 1721/4885

“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.