SCHEMBL16633633

SCHEMBL16633633

CC(C)(C)OC(=O)N1CC(=O)O[C@@H](COCc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.44
▸ CDC25B P30305 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PARP1 P09874 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ STS P08842 1/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ RORC P51449 1/20 0.40
▸ TACR1 P25103 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GPR119 Q8TDV5 2/20 0.39
▸ KLK7 P49862 1/20 0.38
▸ KLK5 Q9Y337 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ YAP1 P46937 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
SCHEMBL16633630 1.00 PTPN1 (0.44) PTPN1CDC25BLMNAPARP1L3MBTL1
SCHEMBL29579063 0.85 PTPN1 (0.41) PTPN1CDC25BLMNAPARP1L3MBTL1
SCHEMBL30987110 0.83 PARP1 (0.41) PTPN1CDC25BLMNAPARP1JAK2
SCHEMBL13132221 0.82 NR1H2 (0.42) PTPN1LMNAPARP1JAK2JAK1
SCHEMBL17013191 0.82 NR1H2 (0.42) PTPN1LMNAPARP1JAK2JAK1
SCHEMBL29579871 0.82 PTPN1 (0.40) PTPN1CDC25BLMNAPARP1L3MBTL1
SCHEMBL29579140 0.82 PTPN1 (0.40) PTPN1CDC25BLMNAPARP1L3MBTL1
SCHEMBL969537 0.81 JAK2 (0.46) PARP1JAK2JAK1STSTACR1
SCHEMBL16633219 0.81 JAK2 (0.41) LMNAPARP1JAK2JAK1STS
SCHEMBL19829019 0.81 JAK2 (0.41) LMNAPARP1JAK2JAK1STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110105346-B Optionally substituted quinoline compounds 卫材R&D管理有限公司 2023-03-10 — — CN disclosed
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-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-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-02-01 — — 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-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-9428495-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-30 — — US disclosed
EP-3057964-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2016-08-24 — — EP disclosed
WO-2015057659-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 — — WO disclosed
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-16 — — 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 PTPN1 353/4885CDC25B 2424/4885LMNA 1606/4885
US-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 PTPN1 353/4885CDC25B 2424/4885LMNA 1606/4885
US-20180354939-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 PTPN1 309/4885CDC25B 2260/4885LMNA 1330/4885
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 PTPN1 353/4885CDC25B 2424/4885LMNA 1606/4885
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 PTPN1 353/4885CDC25B 2424/4885LMNA 1606/4885

“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.

Send feedback