Sugi Predict

Sugi Predict / Compounds / SCHEMBL1128833

SCHEMBL1128833

SCHEMBL1128833

O=S(=O)(Oc1ccccc1)C(F)(F)F.[Cu]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 6/20 0.54
▸ CA2 P00918 6/20 0.54
▸ CA9 Q16790 5/20 0.54
▸ KMT2A Q03164 2/20 0.47
▸ LMNA P02545 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ CXCR2 P25025 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CXCR1 P25024 1/20 0.41
▸ CA5A P35218 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD5 P21918 1/20 0.38

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
SCHEMBL8821206 0.98 CA1 (0.56) CA1CA2CA9KMT2ALMNA
SCHEMBL780030 0.98 CA1 (0.56) CA1CA2CA9KMT2ALMNA
SCHEMBL28043817 0.95 CA1 (0.54) CA1CA2CA9KMT2ALMNA
Methane SCHEMBL27573607 0.95 CA1 (0.54) CA1CA2CA9KMT2ALMNA
Hydrogen Sulfide SCHEMBL6734260 0.95 CA1 (0.54) CA1CA2CA9KMT2ALMNA
SCHEMBL6923665 0.95 CA1 (0.54) CA1CA2CA9KMT2ALMNA
Iodide SCHEMBL3347577 0.95 CA1 (0.54) CA1CA2CA9KMT2ALMNA
SCHEMBL28807949 0.95 CA1 (0.54) CA1CA2CA9KMT2ALMNA
SCHEMBL27804335 0.95 CA1 (0.54) CA1CA2CA9KMT2ALMNA
Ammonia Solution, Strong SCHEMBL2331986 0.95 CA1 (0.54) CA1CA2CA9KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2021-02-11 — — US disclosed
EP-3418276-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2018-12-26 — — EP disclosed
EP-2720544-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2016-12-21 — — EP disclosed
US-9040516-B2 Uracil derivative and use thereof for medical purposes SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-05-26 — — US disclosed
US-9006228-B2 Substituted cyclopropyl compounds, compositions containing such compounds, and methods of treatment MERCK SHARP & DOHME CORP. (US) 2015-04-14 — — US disclosed
EP-2382203-B1 BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2015-01-14 — — EP disclosed
US-8907095-B2 Bicyclic heterocycle derivatives and their use as modulators of the activity of GPR119 MERCK SHARP & DOHME CORP. (US) 2014-12-09 — — US disclosed
US-20140179670-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-06-26 — — US disclosed
EP-2740728-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Dainippon Sumitomo Pharma Co., Ltd. (JP) 2014-06-11 — — EP disclosed
US-20140128368-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2014-05-08 — — US disclosed
EP-2283019-A1 GPR119 RECEPTOR AGONISTS F. Hoffmann-La Roche AG (CH) 2011-02-16 — — EP disclosed
CN-101910151-A Bicyclic heterocyclic derivatives and their use as modulators of GPR119 activity SCHERING CORP 2010-12-08 — — CN disclosed
CN-101903373-A Functionally selective alpha2c adrenoreceptor agonists SCHERING CORP 2010-12-01 — — CN disclosed
CN-1668303-B Selective estrogen receptor modulators containing phenylsulfonyl groups LILLY CO ELI 2010-10-27 — — CN disclosed
WO-2010075271-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-07-01 — — WO disclosed
WO-2010009207-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS GPCR MODULATORS SCHERING CORPORATION (US) 2010-01-21 — — WO disclosed
WO-2009141238-A1 GPR119 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-26 — — WO disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 — — US disclosed
CN-101296920-A Imidazole derivatives as functionally selective alpha 2C adrenoreceptor agonists SCHERING CORP AND PHARMACOPEIA (US) 2008-10-29 — — CN disclosed
CN-1668303-A Selective estrogen receptor modulators containing phenylsulfonyl groups LILLY CO ELI (US) 2005-09-14 — — CN 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-20090286812-A1 GPR119 Receptor Agonists GPR119, GPR27, GPR139 CA1 4815/4885CA2 3116/4885CA9 2648/4885
US-20140128368-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT GPR119, GCGR, GPR27 CA1 3634/4885CA2 1250/4885CA9 1456/4885
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND CYP2F1, CYP21A2, CYP11B1 CA1 640/4885CA2 264/4885CA9 423/4885
US-20140179670-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES URB2, ELANE, NUDT1 CA1 2470/4885CA2 2971/4885CA9 2783/4885

“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.