SCHEMBL3552234

SCHEMBL3552234

N#Cc1c(F)c(F)cc(C(=O)O)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 1/20 0.39
NOTUM Q6P988 3/20 0.37
TRPV4 Q9HBA0 1/20 0.36
MAP2K1 Q02750 1/20 0.35
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ASPH Q12797 1/20 0.35
KDM8 Q8N371 1/20 0.35
STAT3 P40763 2/20 0.34
ALB P02768 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL5364750 0.86 TRPV4 (0.38) NOTUMTRPV4CES2CES1KDM4E
SCHEMBL5362826 0.85 ALDH1A1 (0.39) KEAP1NFE2L2NOTUMTRPV4CES2
SCHEMBL7038205 0.84 KEAP1 (0.43) KEAP1NFE2L2NOTUMTRPV4MAP2K1
SCHEMBL14408161 0.83 STAT3 (0.36) TRPV4CES2CES1KDM4ESTAT3
SCHEMBL7044003 0.83 DGAT1 (0.38) NOTUMTRPV4MAP2K1CES2CES1
SCHEMBL7045129 0.80 ALDH1A1 (0.48) KDM4ESTAT3CA1CA2
SCHEMBL31171336 0.77 MAP2K1 (0.41) NOTUMMAP2K1CES2CES1XDH
SCHEMBL2080480 0.77 CES2 (0.41) NOTUMMAP2K1CES2CES1KDM4E
SCHEMBL809118 0.76 TRPV4 (0.50) TRPV4CES2CES1STAT3CA1
SCHEMBL3552211 0.75 STAT3 (0.56) KDM4ESTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1215202-A1 Intermediates for the preparation of possibly substituted 8-cyano-1-cyclopropyl-7-(2,8-diazabicyclo-(4.3.0)-nonan-8-yl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolin carboxylic acids and their derivatives BAYER AG (DE) 2002-06-19 EP claimed
US-6278013-B1 AS CHEMICAL INTERMEDIATES FOR PREPARING QUINOLINECARBOXYLIC ACID DERIVATIVE ANTIBIOTICS USED IN VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 2001-08-21 US claimed
CN-107987074-B Synthetic method of prafloxacin 浙江美诺华药物化学有限公司 2020-12-29 CN disclosed
EP-1669354-B1 8-CYANOQUINOLONECARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP disclosed
EP-1669354-B1 8-CYANOQUINOLONECARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP disclosed
US-7723524-B2 8-cyanoquinolonecarboxylic acid derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-05-25 US disclosed
US-7723524-B2 8-cyanoquinolonecarboxylic acid derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-05-25 US disclosed
US-7723524-B2 8-cyanoquinolonecarboxylic acid derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-05-25 US disclosed
US-20080255190-A1 8-Cyanoquinolonecarboxylic Acid Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-10-16 US disclosed
US-20080255190-A1 8-Cyanoquinolonecarboxylic Acid Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-10-16 US disclosed
US-20080255190-A1 8-Cyanoquinolonecarboxylic Acid Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-10-16 US disclosed
US-6133260-A Use of 7-(2-oxa-5,8-diazabicyclo[4.3.0]non-8-yl)-quinolone carboxylic acid and naphthyridon carboxylic acid derivatives for the treatment of Helicobacter pylori infections and associated gastroduodenal diseases BAYER AKTIENGESELLSCHAFT (DE) 2000-10-17 US disclosed
EP-1001929-A1 METHOD FOR PREPARING 3-CYANO-2,4-DIHALOGEN-5-FLUOR-BENZOIC ACID Bayer Aktiengesellschaft (DE) 2000-05-24 EP disclosed
EP-0946176-A1 THE USE OF 7-(2-OXA-5,8-DIAZABICYCLO 4.3.0]NON-8-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDON CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF HELICOBACTER PYLORI INFECTIONS AND ASSOCIATED GASTRODUODENAL DISEASES BAYER AG (DE) 1999-10-06 EP disclosed
EP-0944385-A2 USE OF 7-(1-AMINOMETHYL-2-OXA-7-AZA-BICYCLO 3.3.0]OCT-7-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDONE CARBOXYLIC ACID DERIVATIVES FOR TREATING $i(HELICOBACTER PYLORI) INFECTIONS AND THE GASTRODUODENAL DISEASES ASSOCIATED THEREWITH BAYER AG (DE) 1999-09-29 EP disclosed
WO-1999006360-A1 METHOD FOR PREPARING 3-CYANO-2,4-DIHALOGEN-5-FLUOR-BENZOIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1999-02-11 WO disclosed
EP-0882049-A1 POSSIBLY SUBSTITUTED 8-CYANO-1-CYCLOPROPYL-7-(2,8-DIAZABICYCLO- 4.3.0]-NONAN-8-YL)-6-FLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLIN CARBOXYLIC ACIDS AND THEIR DERIVATIVES BAYER AG (DE) 1998-12-09 EP disclosed
WO-1998026779-A1 THE USE OF 7-(2-OXA-5,8-DIAZABICYCLO[4.3.0]NON-8-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDON CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF HELICOBACTER PYLORI INFECTIONS AND ASSOCIATED GASTRODUODENAL DISEASES BAYER AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed
WO-1998026768-A2 USE OF 7-(1-AMINOMETHYL-2-OXA-7-AZA-BICYCLO[3.3.0]OCT-7-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDONE CARBOXYLIC ACID DERIVATIVES FOR TREATING HELICOBACTER PYLORI INFECTIONS AND THE GASTRODUODENAL DISEASES ASSOCIATED THEREWITH BAYER AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed
WO-1997031001-A1 POSSIBLY SUBSTITUTED 8-CYANO-1-CYCLOPROPYL-7-(2,8-DIAZABICYCLO-[4.3.0]-NONAN-8-YL)-6-FLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLIN CARBOXYLIC ACIDS AND THEIR DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1997-08-28 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 (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-20080255190-A1 8-Cyanoquinolonecarboxylic Acid Derivative QPCT, ASNS, C3AR1 KEAP1 464/4885NFE2L2 3082/4885NOTUM 4492/4885

“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.