SCHEMBL6902425

SCHEMBL6902425

CC(C)(C)[Si](C)(C)Oc1cc(F)ccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 4/20 0.37
ERN1 O75460 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL22032601 0.88 ALDH1A1 (0.40) PTPN1ALDH1A1ERN1KDM4E
SCHEMBL19810818 0.83 ALDH1A1 (0.49) ALDH1A1ERN1L3MBTL1CA12CA1
SCHEMBL14679006 0.83 ERN1 (0.40) PTPN1ALDH1A1ERN1KDM4EL3MBTL1
SCHEMBL17786204 0.83 ALDH1A1 (0.40) ALDH1A1ERN1KDM4EL3MBTL1CA12
SCHEMBL275702 0.81 TDP1 (0.44) PTPN1ALDH1A1ERN1KDM4EL3MBTL1
SCHEMBL275754 0.81 ERN1 (0.39) ALDH1A1ERN1KDM4EL3MBTL1CA12
SCHEMBL1054616 0.81 ERN1 (0.39) ALDH1A1ERN1KDM4ECA12CA1
SCHEMBL1201100 0.80 ALDH1A1 (0.48) ALDH1A1ERN1KDM4EL3MBTL1NPSR1
SCHEMBL29722800 0.80 ALDH1A1 (0.48) ALDH1A1ERN1KDM4EL3MBTL1NPSR1
SCHEMBL1056366 0.80 ALOX5AP (0.36) CA12CA1CA9ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001309-B Bis (sulfonamide) derivatives and their use as MPGES inhibitors 格辛塔制药公司 2021-03-05 CN disclosed
EP-3224253-B1 BIS (SULFONAMIDE) DERIVATIVES AND THEIR USE AS MPGES INHIBITORS GESYNTA PHARMA AB (SE) 2019-10-30 EP disclosed
US-10081614-B2 Bis(sulfonamide) derivatives and their use as mPGES inhibitors ACTURUM REAL ESTATE AB (SE) 2018-09-25 US disclosed
US-20170313672-A1 BIS(SULFONAMIDE) DERIVATIVES AND THEIR USE AS MPGES INHIBITORS GESYNTA PHARMA AB (SE) 2017-11-02 US disclosed
US-20170313672-A1 BIS(SULFONAMIDE) DERIVATIVES AND THEIR USE AS MPGES INHIBITORS GESYNTA PHARMA AB (SE) 2017-11-02 US disclosed
US-20170313672-A1 BIS(SULFONAMIDE) DERIVATIVES AND THEIR USE AS MPGES INHIBITORS GESYNTA PHARMA AB (SE) 2017-11-02 US disclosed
EP-3224253-A1 BIS(SULFONAMIDE) DERIVATIVES AND THEIR USE AS MPGES INHIBITORS Acturum Real Estate AB (SE) 2017-10-04 EP disclosed
WO-2016085392-A1 BIS(SULFONAMIDE) DERIVATIVES AND THEIR USE AS MPGES INHIBITORS Acturum Life Science AB (SE) 2016-06-02 WO disclosed
US-8198302-B2 Anticancer agent having a quinone, quinone prodrug, catechol or catechol prodrug moiety; free of combretastatin A-1 OXIGENE, INC. (US) 2012-06-12 US disclosed
US-20040242696-A1 Compositions and methods with enhanced therapeutic activity MATEON THERAPEUTICS, INC. 2004-12-02 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 (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-20040242696-A1 Compositions and methods with enhanced therapeutic activity NQO1, MKI67, COMT PTPN1 2861/4885ALDH1A1 553/4885ERN1 3895/4885
US-10081614-B2 Bis(sulfonamide) derivatives and their use as mPGES inhibitors PTGES, PTGS1, PTGES2 PTPN1 859/4885ALDH1A1 394/4885ERN1 1744/4885
US-20170313672-A1 BIS(SULFONAMIDE) DERIVATIVES AND THEIR USE AS MPGES INHIBITORS PTGES, PTGS1, PTGES2 PTPN1 859/4885ALDH1A1 394/4885ERN1 1744/4885

“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.