SCHEMBL6779772

SCHEMBL6779772

CCOC(=O)C(C(=O)OCC)C(=O)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
HTT P42858 4/20 0.37
TP53 P04637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
STAT3 P40763 1/20 0.35
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34

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
SCHEMBL9675530 0.89 MAPT (0.36) TSHRHTTNPSR1ALDH1A1MAPK1
SCHEMBL10351474 0.86 HTT (0.34) TSHRHTTNPSR1STAT3ALDH1A1
SCHEMBL8871815 0.86 GPR35 (0.35) TSHRHTTTDP1ALDH1A1MAPT
SCHEMBL9376935 0.85 ALDH1A1 (0.35) TSHRHTTTDP1ALDH1A1MAPK1
SCHEMBL8117654 0.84 HTT (0.37) TSHRHTTTP53NPSR1TDP1
SCHEMBL8733222 0.84 CES2 (0.49) TSHRHTTTP53NPSR1TDP1
SCHEMBL10472145 0.83 WDR5 (0.35) TSHRHTTTDP1ALDH1A1MAPT
SCHEMBL10616453 0.83 GPR35 (0.35) TSHRHTTTDP1ALDH1A1MAPT
SCHEMBL7813185 0.83 ALDH1A1 (0.34) HTTRAB9AALDH1A1MAPT
SCHEMBL2001481 0.81 TSHR (0.52) TSHRHTTTP53NPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401829-B1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2012-08-22 EP disclosed
EP-1401829-B1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2012-08-22 EP disclosed
EP-1401829-A4 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2004-10-27 EP disclosed
US-6777420-B2 A URACIL COMPOUNDS AS ENZYME INHIBITORS, INHIBIT BACTERIAL DNA POLYMERASE, TREATING BACTERIAL DISEASES MICROBIOTIX, INC. 2004-08-17 US disclosed
EP-1401829-A1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS Microbiotix, Inc. (US) 2004-03-31 EP disclosed
US-20030181719-A1 Novel heterocyclic antibacterial compounds MICROBIOTIX, INC. 2003-09-25 US disclosed
WO-2002102792-A1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX, INC. (US) 2002-12-27 WO disclosed
US-4952695-A Cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinoline carboxylic acid, intermediate for antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1990-08-28 US disclosed
US-4889857-A BACTERICIDES; SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-12-26 US disclosed
EP-0311948-A2 Quinolonecarboxylic acid compounds and pharmaceutical use thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-04-19 EP disclosed
EP-0155587-B1 1,7-DIAMINO-1,4-DIHYDRO-4-OXO-3(AZA)QUINOLINE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING BACTERIAL DISEASES BAYER AG (DE) 1988-06-08 EP disclosed
EP-0126355-B1 7-AMINO-1-CYCLOPROPYL-6,8-DIFLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLINE-CARBOXYLIC ACID, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS CONTAINING THEM BAYER AG (DE) 1987-09-09 EP disclosed
US-4599334-A 7-(3-aryl-1-piperazinyl)- and 7-(3-cyclohexyl-1-piperazinyl)-3-quinolonecarboxylic acid antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1986-07-08 US disclosed
EP-0181521-A1 Antimicrobial 1-substituted Phenyl-4-oxoquinoline-3-carboxylic acid compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-21 EP disclosed
US-4588726-A 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(3-oxo-1-piperazinyl)-3-quinolinecarboxylic acid antibacterial agents BAYER AKTIENGESELLSCHAFT (DE) 1986-05-13 US disclosed
EP-0169993-A2 7-(3-Aryl-1-piperazinyl) and 7-(3-cyclohexyl-1-piperazinyl) 3-quinoline carboxylic acids BAYER AG (DE) 1986-02-05 EP disclosed
EP-0166939-A1 1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7(3-oxo-1-piperazinyl)-3-quinoline-carboxylic acids, process for their preparation and bactericidal agents containing them BAYER AG (DE) 1986-01-08 EP disclosed
US-4556658-A 7-Amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acids and antibacterial agents containing these compounds BAYER AKTIENGESELLSCHAFT (DE) 1985-12-03 US disclosed
EP-0155587-A1 1,7-Diamino-1,4-dihydro-4-oxo-3(aza)quinoline-carboxylic acids, process for their preparation and their use in treating bacterial diseases BAYER AG (DE) 1985-09-25 EP disclosed
EP-0126355-A1 7-Amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinoline-carboxylic acid, processes for their preparation and antibacterial agents containing them BAYER AG (DE) 1984-11-28 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-20030181719-A1 Novel heterocyclic antibacterial compounds TOP1, TOP2A, TOP2B TSHR 4571/4885HTT 2653/4885TP53 1180/4885

“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.