SCHEMBL8690353

SCHEMBL8690353

O=C(c1ccccc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
STS P08842 6/20 0.67
ELANE P08246 7/20 0.53
ALDH1A1 P00352 1/20 0.50
ITGA1 P56199 1/20 0.49
SRD5A2 P31213 2/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL3668194 0.94 STS (0.60) STSELANEITGA1SRD5A2
SCHEMBL9234669 0.88 STS (0.53) STSALDH1A1SRD5A2
SCHEMBL24095014 0.88 STS (0.53) STSELANEITGA1SRD5A2
SCHEMBL5553655 0.88 MEN1 (0.54) STSELANEITGA1SRD5A2
SCHEMBL8331932 0.86 LMNA (0.53) STSELANEALDH1A1SRD5A2
SCHEMBL8537629 0.86 HPGD (0.54) STSELANEITGA1SRD5A2
SCHEMBL14721596 0.85 STS (0.69) STSALDH1A1SRD5A2
SCHEMBL20720012 0.84 STS (0.69) STSELANEALDH1A1ITGA1SRD5A2
SCHEMBL840762 0.83 KMT2A (0.50) STSALDH1A1SRD5A2
SCHEMBL9576720 0.83 STS (0.55) STSELANEALDH1A1ITGA1SRD5A2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 disclosed
US-9637565-B2 Photoinitiating system for anionic polymerization UVIC INDUSTRY PARTNERSHIPS INC. (US) 2017-05-02 US disclosed
US-9637565-B2 Photoinitiating system for anionic polymerization UVIC INDUSTRY PARTNERSHIPS INC. (US) 2017-05-02 US disclosed
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 disclosed
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 disclosed
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 disclosed
US-20140275316-A1 PHOTOINITIATING SYSTEM FOR ANIONIC POLYMERIZATION UVIC INDUSTRY PARTNERSHIPS INC. (CA) 2014-09-18 US disclosed
US-20140275316-A1 PHOTOINITIATING SYSTEM FOR ANIONIC POLYMERIZATION UVIC INDUSTRY PARTNERSHIPS INC. (CA) 2014-09-18 US disclosed
US-5817877-A Metal-catalyzed amination of organic sulfonates to organic amines YALE UNIVERSITY (US) 1998-10-06 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 (1 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 STS 1047/4885ELANE 3692/4885ALDH1A1 576/4885

“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.