SCHEMBL1344860

SCHEMBL1344860

CCC(C(=O)O)C(=O)c1cc(F)c(F)c(OC)c1F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 2/20 0.36
AKR1C3 P42330 5/20 0.33
AKR1C2 P52895 5/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
HSD17B1 P14061 2/20 0.32
HSD17B2 P37059 2/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
AKR1C1 Q04828 1/20 0.32
PTGS1 P23219 1/20 0.32
MAPK1 P28482 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
LDHA P00338 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
SCHEMBL1345064 0.83 CES2 (0.36) AKR1C3AKR1C2CES2CES1
SCHEMBL5535417 0.82 AKR1C3 (0.32) AKR1C3AKR1C2AKR1C1
SCHEMBL143557 0.82 MEP1B (0.42) STING1AKR1C3AKR1C2PPARDPPARA
SCHEMBL10806450 0.79 CES2 (0.33) AKR1C3AKR1C2CES2CES1
SCHEMBL9376935 0.78 ALDH1A1 (0.35) NR1H2NR1H3HSD17B1HSD17B2MEN1
SCHEMBL607945 0.77 HSD17B10 (0.44) NR1H2NR1H3HSD17B1HSD17B2MEN1
SCHEMBL2835358 0.77 HSD17B10 (0.35) STING1NR1H2NR1H3HSD17B1HSD17B2
SCHEMBL1344665 0.77 STING1 (0.36) STING1AKR1C3AKR1C2PPARDPPARA
SCHEMBL10401543 0.77 AKR1C3 (0.35) AKR1C3AKR1C2PPARDPPARAAKR1C1
SCHEMBL27927680 0.76 HSD17B10 (0.43) NR1H2NR1H3HSD17B1HSD17B2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2998304-B1 METHOD FOR PRODUCING (1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-8-METHOXY-7-[(4AS,7AS)-OCTAHYDRO-6H-PYRROLO[3,4-B]PYRIDIN-6-YL]-4-OXO-3-QUINOLINE-CARBOXYLIC ACID DERKACH NATALIIA MYKOLAIVNA (UA) 2017-08-30 EP disclosed
US-9556173-B2 Method for preparation of 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid DERKACH NATALIIA MYKOLAIVNA (UA) 2017-01-31 US disclosed
US-9556173-B2 Method for preparation of 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid DERKACH NATALIIA MYKOLAIVNA (UA) 2017-01-31 US disclosed
US-20160159788-A1 METHOD FOR PREPARATION OF 1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-8-METHOXY-7-[(4AS,7AS)-OCTAHYDRO-6H-PYRROLO[3,4-B]PYRIDIN-6-YL]-4-OXO-3-QUINOLINECARBOXYLIC ACID DERKACH NATALIIA MYKOLAIVNA (UA) 2016-06-09 US disclosed
US-20160159788-A1 METHOD FOR PREPARATION OF 1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-8-METHOXY-7-[(4AS,7AS)-OCTAHYDRO-6H-PYRROLO[3,4-B]PYRIDIN-6-YL]-4-OXO-3-QUINOLINECARBOXYLIC ACID DERKACH NATALIIA MYKOLAIVNA (UA) 2016-06-09 US disclosed
EP-2998304-A1 METHOD FOR PRODUCING (1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-8-METHOXY-7-[(4AS,7AS)-OCTAHYDRO-6H-PYRROLO[3,4-B]PYRIDIN-6-YL]-4-OXO-3-QUINOLINE-CARBOXYLIC ACID Derkach, Nataliia Mykolaivna (UA) 2016-03-23 EP disclosed
EP-2998304-A1 METHOD FOR PRODUCING (1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-8-METHOXY-7-[(4AS,7AS)-OCTAHYDRO-6H-PYRROLO[3,4-B]PYRIDIN-6-YL]-4-OXO-3-QUINOLINE-CARBOXYLIC ACID Derkach, Nataliia Mykolaivna (UA) 2016-03-23 EP disclosed
US-8063221-B2 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 US disclosed
US-5385913-A 1,4-dihydro-4-oxo-3-quinoline derivatives as selectively toxic mammalian antibacterial agents PFIZER INC. (US) 1995-01-31 US disclosed
EP-0421668-B1 1,4-Dihydro-4-oxo-3-quinolone derivatives as selectively toxic mammalian antibacterial agents PFIZER (US) 1995-01-04 EP disclosed
WO-1991004972-A1 1,4-DIHYDRO-4-OXO-3-QUINOLINE DERIVATIVES AS SELECTIVELY TOXIC MAMMALIAN ANTIBACTERIAL AGENTS PFIZER INC. (US) 1991-04-18 WO disclosed
EP-0421668-A2 1,4-Dihydro-4-oxo-3-quinolone derivatives as selectively toxic mammalian antibacterial agents PFIZER INC. (US) 1991-04-10 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-20160159788-A1 METHOD FOR PREPARATION OF 1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-8-METHOXY-7-[(4AS,7AS)-OCTAHYDRO-6H-PYRROLO[3,4-B]PYRIDIN-6-YL]-4-OXO-3-QUINOLINECARBOXYLIC ACID HPD, OGFOD1, DHODH STING1 2921/4885AKR1C3 549/4885AKR1C2 1155/4885

“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.