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SCHEMBL1187294

SCHEMBL1187294

O=C(O)CC(=O)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.38
▸ ERCC5 P28715 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CES2 O00748 3/20 0.38
▸ CES1 P23141 3/20 0.38
▸ CRBN Q96SW2 1/20 0.37
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ ANPEP P15144 1/20 0.33
▸ KEAP1 Q14145 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ LDHA P00338 1/20 0.31
▸ SRR Q9GZT4 1/20 0.31

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
SCHEMBL30194898 1.00 PTPN1 (0.38) PTPN1ERCC5FEN1SMN1; SMN2TDP1
SCHEMBL8642067 0.83 ERCC5 (0.35) PTPN1ERCC5FEN1SMN1; SMN2CES2
SCHEMBL8433214 0.83 KEAP1 (0.37) PTPN1ERCC5FEN1CES2CES1
SCHEMBL10515545 0.83 PTPN1 (0.35) PTPN1ERCC5FEN1CES2CES1
SCHEMBL8435129 0.81 ERCC5 (0.38) PTPN1ERCC5FEN1SMN1; SMN2MAPK1
SCHEMBL30417758 0.81 ERCC5 (0.38) PTPN1ERCC5FEN1SMN1; SMN2MAPK1
SCHEMBL8160348 0.80 CES2 (0.57) PTPN1ERCC5FEN1CES2CES1
SCHEMBL8878086 0.79 ALDH1A1 (0.42) SMN1; SMN2TDP1CES2CES1CRBN
SCHEMBL8726560 0.79 PTPN1 (0.40) PTPN1ERCC5FEN1SMN1; SMN2TDP1
SCHEMBL30781525 0.79 PTPN1 (0.40) PTPN1ERCC5FEN1SMN1; SMN2TDP1

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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62238239-A — — None — — JP disclosed
CN-115703757-B Synthesis method of melaxacin 浙江中欣氟材股份有限公司 2024-04-09 — — CN disclosed
CN-115703757-A Synthesis method of melafloxacin 浙江中欣氟材股份有限公司 2023-02-17 — — CN disclosed
EP-2203459-B1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2016-03-16 — — EP disclosed
US-8901112-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2014-12-02 — — US disclosed
US-20140005184-A1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN PHARMACEUTICALS CO., LTD. (JP) 2014-01-02 — — US disclosed
EP-2013182-B1 AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2013-09-04 — — EP disclosed
EP-2383271-B1 Aminoquinolones as GSK-3 Inhibitors KYORIN SEIYAKU KK (JP) 2013-07-10 — — EP disclosed
US-8476261-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 — — US disclosed
US-8071591-B2 7-cycloalkylaminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 — — US disclosed
EP-0198678-A2 A process for preparing substituted quinoline-3-carboxylic acids WARNER-LAMBERT COMPANY (US) 1986-10-22 — — EP disclosed
US-4617308-A 7-substituted amino-1-aryl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids and derivatives thereof as antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-10-14 — — US disclosed
US-4604401-A QUINOLINE-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 1986-08-05 — — US disclosed
US-4578473-A Process for quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-03-25 — — US disclosed
EP-0172651-A1 Substituted-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acids; substituted-5-amino-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids; substituted-5-amino-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids; derivatives thereof; pharmaceutical compositions comprising the compounds; and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1986-02-26 — — EP disclosed
US-4571396-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-02-18 — — US disclosed
EP-0169710-A2 7-Substituted-6-fluoro-8-substituted-1,4-dihydro-1-methylamino-4-oxo-3-quinolinecarboxylic acids; 7-substituted-6-fluoro-1,4-dihydro-1-methylamino-4-oxo-3-naphthyridine carboxylic acids; derivatives thereof; and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1986-01-29 — — EP disclosed
EP-0159174-A2 Substituted naphthyridine-, quinoline- and benzoxazine- carboxylic acids as antibacterial agents and processes for their production WARNER-LAMBERT COMPANY (US) 1985-10-23 — — EP disclosed
EP-0153828-A2 1-cyclopropyl-1, 4-dihydro-6-fluoro-4-oxo-1, 8-naphthyridine-3-carboxylic acids; their derivatives and a process for preparing the compounds WARNER-LAMBERT COMPANY (US) 1985-09-04 — — EP disclosed
EP-0153163-A2 7-Substituted-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids; 7-substituted-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acids; their derivatives; and a process for preparing the compounds WARNER-LAMBERT COMPANY (US) 1985-08-28 — — EP 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 (1 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-20140005184-A1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS GSK3A, GSK3B, GSKIP PTPN1 1468/4885ERCC5 1305/4885FEN1 3057/4885

“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.