SCHEMBL18204522

SCHEMBL18204522

CCOC(=O)C1=CCCCC1SC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 8/20 0.41
RAB9A P51151 3/20 0.33
TSHR P16473 2/20 0.33
GSK3B P49841 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
BRD4 O60885 1/20 0.32
GRM1 Q13255 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
SCHEMBL18230612 0.79 CHRNB2 (0.33)
SCHEMBL8746923 0.77 TLR4 (0.47) TLR4RAB9ATSHRNPC1HPGD
SCHEMBL16489094 0.77 TLR4 (0.45) TLR4RAB9ATSHRNPC1
SCHEMBL872474 0.77 ALDH1A1 (0.40) TLR4RAB9ATSHRNPC1
SCHEMBL18204555 0.76 GSK3B (0.33) RAB9ATSHRGSK3BGAAHPGD
SCHEMBL18204504 0.76 GRM1 (0.34) TLR4RAB9ATSHRGSK3BGAA
SCHEMBL18059820 0.76 TLR4 (0.46) TLR4RAB9ATSHRNPC1
SCHEMBL10229490 0.76 TLR4 (0.44) TLR4RAB9ATSHRNPC1HPGD
SCHEMBL8746914 0.75 TLR4 (0.42) TLR4RAB9ATSHRNPC1GAA
SCHEMBL19970479 0.75 KDM4E (0.33) RAB9ATSHRGSK3BGAAHPGD

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
EP-3294706-A1 CYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2018-03-21 EP disclosed
US-9828357-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-11-28 US disclosed
US-9611244-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-04 US disclosed
US-20170066737-A1 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 US disclosed
US-9533966-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-03 US disclosed
WO-2016182036-A1 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-17 WO disclosed
US-20160326102-A1 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-10 US disclosed
US-20160326133-A1 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-10 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-20160326102-A1 CYCLIC COMPOUNDS TLR4, TLR3, TLR1 TLR4 1/4885RAB9A 3388/4885TSHR 3438/4885
US-20160326133-A1 CYCLIC COMPOUNDS TLR4, TLR3, TLR1 TLR4 1/4885RAB9A 3388/4885TSHR 3438/4885
US-20170066737-A1 CYCLIC COMPOUNDS TLR4, TLR3, TLR1 TLR4 1/4885RAB9A 3309/4885TSHR 3449/4885

“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.