SCHEMBL756008

SCHEMBL756008

COc1ccc(S(c2ccccc2)(c2ccccc2)C(F)(F)S(=O)(=O)OF)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
KMT2A Q03164 1/20 0.45
PKM P14618 2/20 0.44
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HSD11B1 P28845 2/20 0.41
PGR P06401 2/20 0.41
POLB P06746 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
KEAP1 Q14145 2/20 0.40
SQSTM1 Q13501 1/20 0.40
NFE2L2 Q16236 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
SCHEMBL759936 0.87 HTR6 (0.39) KMT2ASMN1; SMN2TDP1ALDH1A1HSD11B1
SCHEMBL36493 0.75 PKM (0.47) GAAKMT2APKMHTTSMN1; SMN2
SCHEMBL3143634 0.75 PKM (0.47) GAAKMT2APKMHTTSMN1; SMN2
SCHEMBL2510738 0.75 HSD11B1 (0.43) GAAKMT2APKMHTTSMN1; SMN2
SCHEMBL927174 0.74 HTR6 (0.37) GAAKMT2AHTTSMN1; SMN2LMNA
SCHEMBL7545245 0.73 PKM (0.61) GAAPKMHTTSMN1; SMN2LMNA
SCHEMBL2900381 0.73 PKM (0.83) GAAPKMHTTSMN1; SMN2ALDH1A1
SCHEMBL756609 0.72 KMT2A (0.38) GAAKMT2APKMHTTALDH1A1
SCHEMBL6449720 0.71 GAA (0.41) GAAKMT2AHTTSMN1; SMN2LMNA
SCHEMBL8154133 0.70 TSHR (0.64) GAAPKMHTTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020004408-A1 COMPOSITION, CURED PRODUCT, PATTERN-FORMING METHOD, COMPOUND, POLYMER, AND METHOD FOR PRODUCING COMPOUND 東京応化工業株式会社 2020-01-02 WO disclosed
EP-2302015-B1 OPTICALLY ISOTROPIC LIQUID CRYSTALLINE MEDIUM, AND OPTICAL ELEMENT JNC CORP (JP) 2016-10-05 EP disclosed
EP-2360229-B1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL ELEMENT JNC CORP (JP) 2016-08-31 EP disclosed
US-8586153-B2 Chlorofluorobenzene compound, optically isotropic liquid crystal medium and optical device JNC CORPORATION (JP) 2013-11-19 US disclosed
US-8586803-B2 Chlorofluorobenzene compound, optically isotropic liquid crystal medium and optical device JNC CORPORATION (JP) 2013-11-19 US disclosed
US-20130289316-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE JNC CORP (JP) 2013-10-31 US disclosed
US-8501285-B2 Optically isotropic liquid crystal medium and optical device JNC CORPORATION (JP) 2013-08-06 US disclosed
US-8475887-B2 Optically isotropic liquid crystal medium, and optical device JNC CORPORATION (JP) 2013-07-02 US disclosed
US-20130088658-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE HASEBA YASUHIRO (JP) 2013-04-11 US disclosed
US-20130085306-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE HASEBA YASUHIRO (JP) 2013-04-04 US disclosed
EP-2433923-A1 CHLOROBENZENE DERIVATIVE, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL ELEMENT JNC Corporation (JP) 2012-03-28 EP disclosed
EP-2098583-B1 Optically isotropic liquid crystal medium and optical device JNC CORP (JP) 2012-03-21 EP disclosed
US-20110242473-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE JNC CORPORATION (JP) 2011-10-06 US disclosed
EP-2360229-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL ELEMENT JNC Corporation (JP) 2011-08-24 EP disclosed
EP-2302015-A1 OPTICALLY ISOTROPIC LIQUID CRYSTALLINE MEDIUM, AND OPTICAL ELEMENT Chisso Corporation (JP) 2011-03-30 EP disclosed
US-20110069245-A1 OPTICALLY ISOTROPIC LIQUID CRYSTALLINE MEDIUM, AND OPTICAL ELEMENT CHISSO PETROCHEMICAL CORPORATION (JP) 2011-03-24 US disclosed
US-20100296029-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE CHISSO CORPORATION (JP) 2010-11-25 US disclosed
US-7722783-B2 Optically isotropic liquid crystal medium and optical device CHISSO CORPORATION (JP) 2010-05-25 US disclosed
EP-2098583-A2 Optically isotropic liquid crystal medium and optical device Chisso Corporation (JP) 2009-09-09 EP disclosed
US-20090135368-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE CHISSO CORPORATION (JP) 2009-05-28 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-20130085306-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE DDT, BRAF, CFAP410 GAA 4432/4885KMT2A 3429/4885PKM 3188/4885
US-20100296029-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE DDT, BRAF, LEF1 GAA 4270/4885KMT2A 3306/4885PKM 3168/4885

“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.