SCHEMBL19797161

SCHEMBL19797161

CCOC(=O)C1=CC(=O)CCC1SCc1ccc(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 6/20 0.43
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
P2RX7 Q99572 9/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL19970477 0.83 TLR4 (0.43) TLR4TP53MAPTP2RX7LMNA
SCHEMBL28531536 0.83 TLR4 (0.44) TLR4TP53MAPTP2RX7LMNA
SCHEMBL21218154 0.83 TLR4 (0.44) TLR4TP53MAPTP2RX7LMNA
SCHEMBL872462 0.83 TLR4 (0.56) TLR4TP53MAPTP2RX7LMNA
SCHEMBL19797164 0.80 TLR4 (0.42) TLR4TP53MAPTP2RX7LMNA
SCHEMBL19982521 0.78 TLR4 (0.41) TLR4TP53MAPTP2RX7LMNA
SCHEMBL19982560 0.78 TLR4 (0.41) TLR4TP53MAPTP2RX7LMNA
SCHEMBL19982519 0.78 TLR4 (0.41) TLR4TP53MAPTP2RX7LMNA
SCHEMBL19982456 0.74 TLR4 (0.39) TLR4TP53MAPTP2RX7LMNA
SCHEMBL19982454 0.74 TLR4 (0.39) TLR4TP53MAPTP2RX7LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109923101-B Cyclic compound 武田药品工业株式会社 2021-03-09 CN disclosed
US-10738004-B2 Cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-08-11 US disclosed
US-10738004-B2 Cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-08-11 US disclosed
US-20190233370-A1 CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-01 US disclosed
US-20190233370-A1 CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-01 US disclosed
EP-3511320-A1 CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-07-17 EP disclosed
US-20180118708-A1 CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
EP-3296296-A1 CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-03-21 EP disclosed
WO-2018016657-A1 ETHYL 6-[(2-CHLORO-4-FLUOROPHENYL)METHANESULFONYL]-3-METHYLCYCLOHEX-1-ENE-1-CARBOXYLATE AS TLR4 ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-01-25 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 (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-10738004-B2 Cyclic compound TLR4, TLR3, TLR1 TLR4 1/4885TP53 1066/4885MAPT 4089/4885
US-20180118708-A1 CYCLIC COMPOUND TLR4, TLR3, TLR9 TLR4 1/4885TP53 562/4885MAPT 3713/4885
US-20190233370-A1 CYCLIC COMPOUND TLR4, TLR3, TLR6 TLR4 1/4885TP53 1039/4885MAPT 4207/4885

“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.