SCHEMBL17786199

SCHEMBL17786199

CC(C)(C)[Si](C)(C)Oc1cc(C(F)(F)F)ccc1CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
HTR2A P28223 3/20 0.36
SLC6A4 P31645 3/20 0.36
KCNH2 Q12809 3/20 0.36
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KLF10 Q13118 1/20 0.35
MBOAT4 Q96T53 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
PPARA Q07869 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
PPARG P37231 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL17786201 0.87 IDO1 (0.39) IDO1HTR2ASLC6A4KCNH2CYP2C19
SCHEMBL17786197 0.84 IDO1 (0.40) IDO1HTR2ASLC6A4KCNH2CYP2C19
SCHEMBL17786198 0.82 IDO1 (0.34) IDO1HTR2ASLC6A4KCNH2HSD17B10
SCHEMBL7565321 0.80 DRD2 (0.35) USP2ALDH1A1HSD17B10KLF10PPARA
SCHEMBL17786208 0.80 PTGDR2 (0.39) ALDH1A1NPC1RAB9APTGDR2
SCHEMBL17784730 0.79 MAPT (0.38) IDO1HTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL6498758 0.78 PDCD1 (0.46) IDO1HTR2ASLC6A4KCNH2CYP2C19
SCHEMBL31321848 0.78 PDCD1 (0.46) IDO1HTR2ASLC6A4KCNH2CYP2C19
SCHEMBL908935 0.77 NR1H2 (0.37) IDO1CYP2C19KDM4EUSP2ALDH1A1
SCHEMBL13746429 0.76 CA12 (0.30)

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 857/4885HTR2A 666/4885SLC6A4 1882/4885
US-20170313672-A1 BIS(SULFONAMIDE) DERIVATIVES AND THEIR USE AS MPGES INHIBITORS PTGES, PTGS1, PTGES2 IDO1 857/4885HTR2A 666/4885SLC6A4 1882/4885

“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.