SCHEMBL840975

SCHEMBL840975

O=Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.60
PPARG P37231 1/20 0.53
ALDH1A1 P00352 6/20 0.47
CYP2A6 P11509 2/20 0.47
DRD1 P21728 1/20 0.43
ALDH1A3 P47895 1/20 0.42
KDM4E B2RXH2 3/20 0.42
CXCR2 P25025 2/20 0.42
CXCR1 P25024 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.39
PARP10 Q53GL7 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38
KIF11 P52732 1/20 0.37

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
Oxirane SCHEMBL16056663 0.91 STS (0.51) STSPPARGALDH1A1CYP2A6DRD1
SCHEMBL576035 0.85 CA2 (0.50) DRD1CXCR2CXCR1CA1CA2
SCHEMBL12900893 0.85 STS (0.56) STSPPARGALDH1A1CYP2A6DRD1
SCHEMBL5865434 0.84 STS (0.43) STSPPARGALDH1A1CYP2A6CXCR2
SCHEMBL7987766 0.83 HPGD (0.49) STSPPARGALDH1A1CA1CA2
SCHEMBL943450 0.82 TDP1 (0.42) STSPPARGALDH1A1DRD1CXCR2
Hydrogen Sulfide SCHEMBL29027315 0.81 TDP1 (0.41) STSPPARGALDH1A1DRD1CXCR2
SCHEMBL16664708 0.80 STS (0.37) STSPPARGCXCR2CXCR1CA1
SCHEMBL24080169 0.79 PTGS2 (0.47) PPARGKDM4ELMNASMN1; SMN2KMT2A
SCHEMBL30440664 0.79 PTGS2 (0.47) PPARGKDM4ELMNASMN1; SMN2KMT2A

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
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
US-10463391-B2 Magnetic ferrocenyl-functionalized nanoparticle KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2019-11-05 US disclosed
US-10370397-B2 Phosphine substituted ferrocenyl complex Kind Fahd University of Petroleum and Minerals (SA) 2019-08-06 US disclosed
US-20190029718-A1 MAGNETIC FERROCENYL-FUNCTIONALIZED NANOPARTICLE KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2019-01-31 US disclosed
US-20190031697-A1 PHOSPHINE SUBSTITUTED FERROCENYL COMPLEX KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2019-01-31 US disclosed
US-10150110-B2 Method for making and using a solid-supported catalyst KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2018-12-11 US disclosed
US-10150109-B2 Palladium(II)-silica supported catalyst KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2018-12-11 US disclosed
US-10150111-B2 Method for catalytic synthesis of cinnamic acid with catalyst recycle KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2018-12-11 US disclosed
US-20180326410-A1 METHOD FOR CATALYTIC SYNTHESIS OF CINNAMIC ACID WITH CATALYST RECYCLE KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2018-11-15 US disclosed
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists PHARMACOPEIA, LLC 2002-10-03 US disclosed
EP-1237888-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2002-09-11 EP disclosed
EP-1094816-A4 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2001-12-19 EP disclosed
CN-1308536-A Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2001-08-15 CN disclosed
WO-2001044239-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 WO disclosed
EP-1094816-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-05-02 EP disclosed
WO-2000001389-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2000-01-13 WO disclosed
US-5464865-A Enzyme inhibitors as antiinflammatory agents ORTHO PHARMACEUTICAL CORPORATION (US) 1995-11-07 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 (8 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-10150109-B2 Palladium(II)-silica supported catalyst PDK2, SIK2, SIK1 STS 311/4885PPARG 2566/4885ALDH1A1 1484/4885
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 1047/4885PPARG 1404/4885ALDH1A1 576/4885
US-20180326410-A1 METHOD FOR CATALYTIC SYNTHESIS OF CINNAMIC ACID WITH CATALYST RECYCLE DDT, PDK2, CLK2 STS 464/4885PPARG 3023/4885ALDH1A1 648/4885
US-10370397-B2 Phosphine substituted ferrocenyl complex FECH, PHOSPHO1, FTH1 STS 4308/4885PPARG 3562/4885ALDH1A1 4562/4885
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA STS 65/4885PPARG 655/4885ALDH1A1 1854/4885
US-20190031697-A1 PHOSPHINE SUBSTITUTED FERROCENYL COMPLEX FECH, FOLR1, FOLR2 STS 4127/4885PPARG 2121/4885ALDH1A1 3450/4885
US-10150111-B2 Method for catalytic synthesis of cinnamic acid with catalyst recycle DDT, PDK2, CLK2 STS 464/4885PPARG 3023/4885ALDH1A1 648/4885
US-10150110-B2 Method for making and using a solid-supported catalyst AOC1, SOD1, PDK2 STS 316/4885PPARG 2579/4885ALDH1A1 891/4885

“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.