SCHEMBL4056753

SCHEMBL4056753

O=S(=O)(Oc1ccc2cc(OS(=O)(=O)C(F)(F)F)ccc2c1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
HSD11B1 P28845 1/20 0.51
CA9 Q16790 2/20 0.48
HTR1D P28221 5/20 0.45
HTR1A P08908 4/20 0.45
HTR1B P28222 4/20 0.45
PPARG P37231 1/20 0.44
CXCR2 P25025 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CXCR1 P25024 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
PTPN1 P18031 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 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
SCHEMBL13933202 0.96 CA1 (0.49) CA1CA2HSD11B1CA9HTR1D
SCHEMBL598333 0.96 CA1 (0.50) CA1CA2HSD11B1CA9HTR1D
SCHEMBL1713420 0.92 CA1 (0.61) CA1CA2HSD11B1CA9HTR1D
SCHEMBL14506101 0.92 HSD11B1 (0.47) CA1CA2HSD11B1CA9HTR1D
SCHEMBL29839512 0.92 CA1 (0.61) CA1CA2HSD11B1CA9HTR1D
SCHEMBL6808615 0.90 HSD11B1 (0.46) CA1CA2HSD11B1CA9HTR1D
SCHEMBL8499219 0.90 L3MBTL1 (0.50) CA1CA2HSD11B1LMNAHTT
SCHEMBL4557839 0.90 CA1 (0.55) CA1CA2HSD11B1CA9HTR1D
SCHEMBL24215026 0.89 HSD11B1 (0.45) CA1CA2HSD11B1CA9HTR1D
SCHEMBL1889520 0.89 HSD11B1 (0.48) CA1CA2HSD11B1CA9HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017005824-A1 ELECTROCHROMIC COMPOUNDS AND OPTICAL ARTICLES CONTAINING THEM ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-01-12 WO disclosed
EP-3115433-A1 ELECTROCHROMIC COMPOUNDS AND OPTICAL ARTICLES CONTAINING THEM ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-01-11 EP disclosed
US-8241762-B2 Charge transport materials for luminescent applications E I DU PONT DE NEMOURS AND COMPANY (US) 2012-08-14 US disclosed
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed
US-20080297040-A1 CHARGE TRANSPORT MATERIALS FOR LUMINESCENT APPLICATIONS LG CHEM, LTD. (KR) 2008-12-04 US disclosed
US-7285341-B2 Complex fluorene-containing compounds for use in OLED devices EASTMAN KODAK COMPANY (US) 2007-10-23 US disclosed
EP-1375463-A1 OPTICALLY ACTIVE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION Kansai Research Institute, Inc. (JP) 2004-01-02 EP disclosed
US-20030211421-A1 Optically active compound and photosensitive resin composition KRI, INC. (JP) 2003-11-13 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 (2 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-20080297040-A1 CHARGE TRANSPORT MATERIALS FOR LUMINESCENT APPLICATIONS TRMT1L, LCLAT1, MCOLN1 CA1 3115/4885CA2 1779/4885HSD11B1 3322/4885
US-20030211421-A1 Optically active compound and photosensitive resin composition ARCN1, RAD51, PAM CA1 1984/4885CA2 3704/4885HSD11B1 2532/4885

“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.