SCHEMBL2915243

SCHEMBL2915243

CCOC(=O)CC(=O)c1cc(F)c(F)c(Br)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
MIF P14174 1/20 0.40
NLRP3 Q96P20 1/20 0.37
MAPT P10636 7/20 0.36
LMNA P02545 3/20 0.36
MAPK1 P28482 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
TRPA1 O75762 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP1A2 P05177 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
SCHEMBL10516112 0.88 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL10618493 0.87 KMT2A (0.39) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL7004953 0.87 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL30958584 0.86 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL1185918 0.86 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL3190037 0.85 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1KDM4EGAA
Acetic Acid SCHEMBL8870017 0.82 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL3190199 0.82 MEN1 (0.41) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL9266164 0.82 MEN1 (0.41) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL13745873 0.82 CES2 (0.49) ALDH1A1KMT2AMEN1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190276407-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2019-09-12 US disclosed
EP-3473616-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Wakunaga Pharmaceutical Co., Ltd. (JP) 2019-04-24 EP disclosed
EP-1813610-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF WAKUNAGA PHARMA CO LTD (JP) 2010-09-08 EP disclosed
US-7713997-B2 Pyridonecarboxylic acid derivatives or salts thereof WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2010-05-11 US disclosed
US-20090149440-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD (JP) 2009-06-11 US disclosed
EP-1813610-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 EP disclosed
US-6858625-B1 Quinolinecarboxylic acid derivative or salts thereof WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2005-02-22 US disclosed
EP-1193266-B1 QUINOLINECARBOXYLIC ACID DERIVATIVE OR SALTS THEREOF WAKUNAGA PHARMA CO LTD (JP) 2003-08-27 EP disclosed
EP-0787720-B1 PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KK (JP) 2003-07-16 EP disclosed
EP-0952151-B1 Intermediates for use in preparing novel pyridonecarboxylic acid derivatives or their salts WAKUNAGA PHARMA CO LTD (JP) 2003-05-28 EP disclosed
EP-0227088-B1 ISOXAZOLO-NAPHTHYRIDINE, ISOXAZOLO QUINOLINE, ISOTHIAZOLONAPHTHYRIDINE, AND ISOTHIAZOLOQUINOLINE DERIVATIVES ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
EP-0184035-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES AND PROCESS FOR THEIR PREPARATION KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-07-25 EP disclosed
EP-0216245-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES AND PROCESS FOR THEIR PREPARATION KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-07-25 EP disclosed
EP-0183129-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES KYORIN PHARMACEUTICAL CO., LTD. (JP) 1989-08-09 EP disclosed
US-4826982-A BACTERICIDES KYORIN PHARMACEUTICAL CO., LTD. (JP) 1989-05-02 US disclosed
US-4767762-A Tricyclic quinoline and naphthyride antibacterials ABBOTT LABORATORIES (US) 1988-08-30 US disclosed
EP-0227088-A1 Isoxazolo-naphthyridine, isoxazolo quinoline, isothiazolonaphthyridine, and isothiazoloquinoline derivatives ABBOTT LABORATORIES (US) 1987-07-01 EP disclosed
EP-0216245-A1 Quinolonecarboxylic acid derivatives and process for their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-04-01 EP disclosed
EP-0184035-A1 Quinolonecarboxylic acid derivatives and process for their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1986-06-11 EP disclosed
EP-0183129-A1 Quinolonecarboxylic acid derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1986-06-04 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 (2 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-20190276407-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF CTR9, PYCR1, ACAD9 ALDH1A1 960/4885KMT2A 2161/4885MEN1 1468/4885
US-20090149440-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF SLC7A1, PLPBP, PYCR1 ALDH1A1 1125/4885KMT2A 2732/4885MEN1 4165/4885

“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.