SCHEMBL16633767

SCHEMBL16633767

Cc1ccc(S(=O)(=O)OC[C@H]2CN(c3ccc(C#N)c4ncccc34)CC[C@@H](C)O2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 10/20 0.40
TLR7 Q9NYK1 10/20 0.40
TLR8 Q9NR97 10/20 0.40
HSD11B1 P28845 2/20 0.39
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
KEAP1 Q14145 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 0.35
CTSB P07858 2/20 0.34
NSD2 O96028 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
SCHEMBL16633430 0.93 TLR8 (0.43) TLR9TLR7TLR8HSD11B1ALDH1A1
SCHEMBL16633191 0.88 TLR8 (0.41) TLR9TLR7TLR8HSD11B1ALDH1A1
SCHEMBL16633192 0.88 TLR8 (0.41) TLR9TLR7TLR8HSD11B1ALDH1A1
SCHEMBL18980595 0.82 ALDH1A1 (0.41) TLR9TLR7TLR8HSD11B1ALDH1A1
SCHEMBL21661164 0.82 ALDH1A1 (0.41) TLR9TLR7TLR8HSD11B1ALDH1A1
SCHEMBL16633815 0.82 TLR8 (0.46) TLR9TLR7TLR8
SCHEMBL16634269 0.81 KEAP1 (0.38) TLR9TLR7TLR8LMNAKEAP1
SCHEMBL23855127 0.80 TLR9 (0.39) TLR9TLR7TLR8ALDH1A1MAPT
SCHEMBL21645226 0.80 HSD11B1 (0.34) TLR9TLR7TLR8HSD11B1ALDH1A1
SCHEMBL30288492 0.80 TLR8 (0.40) TLR9TLR7TLR8KEAP1NSD2

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
EP-3995495-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2022-05-11 EP disclosed
EP-3626717-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2020-03-25 EP disclosed
US-RE47193-E1 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-01-08 US disclosed
US-20180354939-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-12-13 US disclosed
US-10087174-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-10-02 US disclosed
US-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-02-01 US disclosed
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-10 US disclosed
US-9428495-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-30 US disclosed
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-16 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 (5 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-10087174-B2 Selectively substituted quinoline compounds SSB, TLR7, TLR8 TLR9 4/4885TLR7 2/4885TLR8 3/4885
US-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 TLR9 4/4885TLR7 2/4885TLR8 3/4885
US-20180354939-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 TLR9 4/4885TLR7 2/4885TLR8 3/4885
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 TLR9 4/4885TLR7 2/4885TLR8 3/4885
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 TLR9 4/4885TLR7 2/4885TLR8 3/4885

“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.