SCHEMBL776070

SCHEMBL776070

O=S(=O)(Oc1ccc(F)cc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.45
CXCR1 P25024 1/20 0.44
CA2 P00918 8/20 0.44
CA9 Q16790 7/20 0.44
CA1 P00915 7/20 0.44
SOS1 Q07889 1/20 0.44
CA12 O43570 2/20 0.43
KIF11 P52732 1/20 0.40
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
HTR1A P08908 2/20 0.39
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
PTPN1 P18031 1/20 0.38
HSD11B1 P28845 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
Phosphine SCHEMBL29104332 0.98 CXCR2 (0.44) CXCR2CXCR1CA2CA9CA1
SCHEMBL24038175 0.94 KIF11 (0.49) CXCR2CXCR1CA2CA9CA1
SCHEMBL576035 0.91 CA2 (0.50) CXCR2CXCR1CA2CA9CA1
SCHEMBL7771915 0.89 CA2 (0.44) CXCR2CA2CA9CA1CA12
Biphenyl SCHEMBL23794913 0.89 CA2 (0.50) CXCR2CXCR1CA2CA9CA1
SCHEMBL548275 0.89 CXCR2 (0.39) CXCR2CXCR1CA2CA9CA1
SCHEMBL9234669 0.87 STS (0.53) CXCR2CXCR1CA2CA9CA1
Diphenylsulfane SCHEMBL674158 0.86 STS (0.44) CXCR2CXCR1CA2CA9CA1
SCHEMBL1713465 0.84 KIF11 (0.55) CXCR2CXCR1CA2CA9CA1
SCHEMBL5179823 0.84 PTPN1 (0.53) CXCR2CXCR1CA2CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110903316-B Phosphonate compound and preparation method and application thereof 中南大学 2021-03-02 CN claimed
CN-110903316-A Phosphonate compound and preparation method and application thereof 中南大学 2020-03-24 CN claimed
EP-3004120-B1 SPIRO-1,1'-BIINDANE-7,7-BISPHOSPHINE OXIDES AS HIGHLY ACTIVE SUPPORTING LIGANDS FOR PALLADIUM-CATALYZED ASYMMETRIC HECK REACTION UNIV NANYANG TECH (SG) 2018-08-29 EP claimed
CN-105658656-A 1, 1' -spiroindane-7, 7-bisphosphine oxides as highly active supporting ligands in palladium-catalyzed asymmetric Heck reactions 南洋理工大学 2016-06-08 CN claimed
US-20160136629-A1 SPIRO-1,1'-BINDANE-7,7-BISPHOSPHINE OXIDES AS HIGHLY ACTIVE SUPPORTING LIGANDS FOR PALADIUM-CATALYZED ASYMMETRIC HECK REACTION NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-05-19 US claimed
EP-3004120-A1 SPIRO-1,1'-BIINDANE-7,7-BISPHOSPHINE OXIDES AS HIGHLY ACTIVE SUPPORTING LIGANDS FOR PALLADIUM-CATALYZED ASYMMETRIC HECK REACTION Nanyang Technological University (SG) 2016-04-13 EP claimed
WO-2014196930-A1 SPIRO-1,1'-BIINDANE-7,7-BISPHOSPHINE OXIDES AS HIGHLY ACTIVE SUPPORTING LIGANDS FOR PALLADIUM-CATALYZED ASYMMETRIC HECK REACTION NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-12-11 WO claimed
CN-1604275-A Pattern formation method MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2005-04-06 CN claimed
US-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2024-11-14 US disclosed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
US-12071396-B2 Method for preparing aromatic amino acid derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-08-27 US disclosed
CN-116490337-A 3D printed composites of phase separated materials 阿莱恩技术有限公司 2023-07-25 CN disclosed
CN-116023383-A Synthesis method of chiral tetrahydrofurano [2,3-b ] tetrahydroquinoline derivative 广西师范大学 2023-04-28 CN disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
WO-2011121350-A1 4 -AMINO -7,8- DIHYDROPYRIMIDO [5, 4 - F] [1, 4] OXAZEPIN- 5 ( 6H) - ONE BASED DGAT1 INHIBITORS ASTRAZENECA AB (SE) 2011-10-06 WO disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed
EP-2012386-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-01-07 EP disclosed
CN-1604275-A Pattern formation method MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2005-04-06 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 (3 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-20160136629-A1 SPIRO-1,1'-BINDANE-7,7-BISPHOSPHINE OXIDES AS HIGHLY ACTIVE SUPPORTING LIGANDS FOR PALADIUM-CATALYZED ASYMMETRIC HECK REACTION SBK1, SIK1, PDPK1 CXCR2 624/4885CXCR1 181/4885CA2 2812/4885
US-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR CXCR2 4458/4885CXCR1 3889/4885CA2 821/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR CXCR2 4458/4885CXCR1 3889/4885CA2 821/4885

“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.