SCHEMBL17786201

SCHEMBL17786201

CC(C)(C)[Si](C)(C)Oc1cc(C(F)(F)F)ccc1CBr

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
SLC6A4 P31645 5/20 0.37
HTR2A P28223 4/20 0.37
KCNH2 Q12809 4/20 0.37
MBOAT4 Q96T53 4/20 0.35
ANO1 Q5XXA6 1/20 0.34
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALPL P05186 1/20 0.33
PDE2A O00408 1/20 0.33
SCN8A Q9UQD0 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL17786199 0.87 IDO1 (0.38) IDO1SLC6A4HTR2AKCNH2MBOAT4
SCHEMBL17786197 0.85 IDO1 (0.40) IDO1SLC6A4HTR2AKCNH2MBOAT4
SCHEMBL2882184 0.81 IDO1 (0.35) IDO1SLC6A4HTR2AKCNH2DRD2
SCHEMBL17184765 0.80 APLNR (0.36) SLC6A4HTR2AKCNH2KDM4EDRD2
SCHEMBL17786202 0.80 DRD2 (0.36) SLC6A4ALDH1A1HPGDALPLDRD2
SCHEMBL321002 0.79 ANO1 (0.44) IDO1SLC6A4HTR2AKCNH2MBOAT4
SCHEMBL17784701 0.78 SLC6A4 (0.36) IDO1SLC6A4HTR2AKCNH2ALPL
SCHEMBL9452824 0.76 DRD2 (0.41) NPC1RAB9ADRD2
SCHEMBL908935 0.75 NR1H2 (0.37) IDO1KDM4EUSP2ALDH1A1HPGD
SCHEMBL18805728 0.75 ATM (0.40) KDM4EALDH1A1HPGDCYP2C19HSD17B10

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 8 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

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-10081614-B2 Bis(sulfonamide) derivatives and their use as mPGES inhibitors PTGES, PTGS1, PTGES2 IDO1 857/4885SLC6A4 1882/4885HTR2A 666/4885
US-20170313672-A1 BIS(SULFONAMIDE) DERIVATIVES AND THEIR USE AS MPGES INHIBITORS PTGES, PTGS1, PTGES2 IDO1 857/4885SLC6A4 1882/4885HTR2A 666/4885

“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.