SCHEMBL408478

SCHEMBL408478

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

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.68
CA2 P00918 3/20 0.68
CA9 Q16790 2/20 0.68
KIF11 P52732 4/20 0.61
CXCR2 P25025 2/20 0.44
KMT2A Q03164 1/20 0.43
CXCR1 P25024 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
ENPP3 O14638 4/20 0.41
ENPP2 Q13822 4/20 0.41
ENPP1 P22413 3/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL31306825 0.98 CA1 (0.66) CA1CA2CA9KIF11CXCR2
SCHEMBL26549580 0.94 KIF11 (0.71) CA1CA2CA9KIF11
Trifluoromethanesulfonic Acid SCHEMBL9380893 0.92 CA1 (0.59) CA1CA2CA9KIF11CXCR2
SCHEMBL28831379 0.91 CA1 (0.58) CA1CA2CA9KIF11CXCR2
Potassium Ion SCHEMBL28015495 0.91 CA1 (0.58) CA1CA2CA9KIF11CXCR2
SCHEMBL576035 0.89 CA2 (0.50) CA1CA2CA9KIF11CXCR2
SCHEMBL28390592 0.86 CA2 (0.73) CA1CA2CA9KIF11KMT2A
SCHEMBL9082186 0.83 EPHX2 (0.67) CA1CA2CA9ENPP3ENPP2
SCHEMBL2832043 0.83 CA1 (0.63) CA1CA2CA9KIF11CXCR2
SCHEMBL3842500 0.83 PTPN11 (0.50) CA1CA2CA9KIF11CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115411363-A Electrolyte, secondary battery and electric equipment 欣旺达电动汽车电池有限公司 2022-11-29 CN claimed
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
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-101600701-A Arylsulfonamide derivatives and methods of use thereof WYETH CORP (US) 2009-12-09 CN claimed
EP-1546116-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2005-06-29 EP claimed
WO-2004014871-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-02-19 WO claimed
WO-2025094700-A1 TRIFLUOROMETHANESULFONATING AGENT COMPOSITION AND METHOD FOR PRODUCING TRIFLUOROMETHANESULFONYLOXY COMPOUND 学校法人神戸薬科大学 2025-05-08 WO disclosed
US-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2024-11-14 US disclosed
US-12071396-B2 Method for preparing aromatic amino acid derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-08-27 US disclosed
CN-116365044-A Electrolyte, secondary battery and electric equipment 欣旺达电动汽车电池有限公司 2023-06-30 CN disclosed
CN-113480416-B Preparation method of aryl ketone 重庆大学 2023-03-21 CN disclosed
US-5302725-A Aryl triflate compounds and radiologically acid producing agents thereof HITACHI CHEMICAL CO., LTD. (JP) 1994-04-12 US disclosed
EP-0537879-A1 Aryl triflate compound, radiologically acid producing agent, radiologically acid producing agent system, and radiosensitive composition HITACHI CHEMICAL CO., LTD. (JP) 1993-04-21 EP disclosed
US-5198402-A ARYL TRIFLATE COMPOUND, RADIOLOGICALLY ACID PRODUCING AGENT, RADIOLOGICALLY ACID PRODUCING AGENT SYSTEM, AND RADIOSENSITIVE COMPOSITION HITACHI CHEMICAL COMPANY LTD. (JP) 1993-03-30 US disclosed
EP-0533266-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP disclosed
WO-1992020642-A1 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-11-26 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 (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 CA1 3165/4885CA2 2812/4885CA9 1460/4885
US-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR CA1 1106/4885CA2 821/4885CA9 953/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR CA1 1106/4885CA2 821/4885CA9 953/4885

“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.