SCHEMBL4674767

SCHEMBL4674767

O=C(O)Cc1c(F)c(F)c(C(=O)O)c(C(=O)O)c1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
AKR1B1 P15121 2/20 0.34
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
FOLH1 Q04609 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30

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
SCHEMBL28401272 0.86 DUSP3 (0.35) DUSP3PTPN5PTPN11CTDSP1AKR1B1
SCHEMBL15948192 0.85 AKR1B1 (0.42) AKR1B1LMNAFOLH1HTT
SCHEMBL10586014 0.84 DUSP3 (0.34) DUSP3PTPN5PTPN11CTDSP1AKR1B1
SCHEMBL503968 0.83 AKR1B1 (0.41) AKR1B1FOLH1MEN1KMT2A
SCHEMBL709559 0.81 SMN1; SMN2 (0.32) SMN1; SMN2PKMHTTMEN1KMT2A
SCHEMBL15948146 0.80 AKR1B1 (0.39) AKR1B1FOLH1MEN1KMT2A
SCHEMBL15948206 0.78 AKR1B1 (0.41) AKR1B1LMNAFOLH1HTT
SCHEMBL9874822 0.75 TSHR (0.50) LMNAPOLBMEN1KMT2A
SCHEMBL4103547 0.74 IMPDH2 (0.39) AKR1B1POLBMEN1KMT2A
SCHEMBL11268242 0.74 CYP1A2 (0.37) AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304329-B1 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI SANKYO CO LTD (JP) 2008-10-15 EP disclosed
EP-0897919-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2004-06-16 EP disclosed
EP-0807630-B1 HETEROCYCLIC COMPOUNDS DAIICHI SEIYAKU CO (JP) 2003-05-07 EP disclosed
EP-1304329-A2 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-23 EP disclosed
US-6211375-B1 IMPROVED INTESTINAL ABSORPTION WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
JP-2000327622-A PRODUCTION OF PHENYLACETIC ACID DERIVATIVE NIPPON SHOKUBAI CO LTD 2000-11-28 JP disclosed
EP-0897919-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-02-24 EP disclosed
US-5849757-A Pyridonecarboxylic acid derivatives substituted by a bicyclic amino group as antibacterials DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed
EP-0807630-A1 HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed