SCHEMBL8726560

SCHEMBL8726560

O=C(O)CC(=O)c1cc(F)c(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HPGD P15428 3/20 0.33
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL30781525 1.00 PTPN1 (0.40) PTPN1ERCC5FEN1CYP11B1CYP11B2
Butane SCHEMBL10841930 0.92 PTPN1 (0.36) PTPN1ERCC5FEN1CYP11B1CYP11B2
SCHEMBL10693623 0.82 PTPN1 (0.37) PTPN1ERCC5FEN1KEAP1NFE2L2
SCHEMBL9226589 0.82 POLB (0.50) ERCC5FEN1POLBAPEX1HPGD
SCHEMBL30194898 0.79 PTPN1 (0.38) PTPN1ERCC5FEN1CES2CES1
SCHEMBL1187294 0.79 PTPN1 (0.38) PTPN1ERCC5FEN1CES2CES1
SCHEMBL6626651 0.79 SLC22A6 (0.44) KMT2AALDH1A1TDP1LMNANPC1
SCHEMBL4707612 0.78 CES2 (0.59) PTPN1ERCC5FEN1CES2CES1
SCHEMBL8876484 0.78 GAA (0.42) PTPN1ERCC5FEN1CYP11B1CYP11B2
SCHEMBL10497937 0.77 CES2 (0.37) PTPN1ERCC5FEN1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486706-B Synthesis method of 2,4, 5-trifluoro phenylacetic acid 山东国邦药业有限公司 2024-04-19 CN disclosed
CN-117486706-A Synthesis method of 2,4, 5-trifluoro phenylacetic acid 山东国邦药业有限公司 2024-02-02 CN disclosed
US-8927723-B2 Preparation of pyridonecarboxylic acid antibacterials ABBVIE, INC. (US) 2015-01-06 US disclosed
US-20140155610-A1 PREPARATION OF PYRIDONECARBOXYLIC ACID ANTIBACTERIALS ABBVIE, INC. (US) 2014-06-05 US disclosed
US-5766556-A SUITABLE ENVIRONMENT FOR SIMULTANEOUS SYNTHESIS OF ORGANIC COMPOUNDS, INORGANIC COMPOUNDS AND ORGANOMETALLIC COMPOUNDS WARNER-LAMBERT COMPANY (US) 1998-06-16 US disclosed
US-5714127-A RESERVOIR RACKS WITH REACTION WELLS; GAS DISPERSION TUBES CONTAINING FILTERS; HOLDER BLOCK WITH APERTURES; MANIFOLD WARNER-LAMBERT COMPANY (US) 1998-02-03 US disclosed
US-5702672-A REACTION TUBE COMPRISING GAS DISPERSION TUBE HAVING GROUNG GLASS JOINT SECTION WARNER-LAMBERT COMPANY (US) 1997-12-30 US disclosed
US-5612002-A SYNTHESIS OF COMPOUNDS WARNER-LAMBERT COMPANY (US) 1997-03-18 US disclosed
US-5593642-A CONTAINMENT OF SOLID SUPPORT WITHIN A GAS DISPERSION TUBE WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed
US-5582801-A HAVING PLURALITY OF REACTION TUBES WITH FILTERS ON LOWER ENDS, RESERVOIR WITH MEANS FOR RECEIVING FILTERS, HOLDER FOR SUPPORTING TUBES, MANIFOLD ENCLOSING UPPER ENDS, FASTENERS HOLDING TOGETHER HOLDER AND MANIFOLD, HOLDER AND RESERVOIR WARNER-LAMBERT COMPANY (US) 1996-12-10 US disclosed
US-5567391-A MULTICOMPARTMENT CHEMICAL REACTORS WARNER-LAMBERT COMPANY (US) 1996-10-22 US disclosed
US-5565173-A USED FOR SOLID-PHASE SYNTHESIS WARNER-LAMBERT COMPANY (US) 1996-10-15 US disclosed
WO-1996030393-A1 A METHOD FOR THE SYNTHESIS OF MIXTURES OF COMPOUNDS WARNER-LAMBERT COMPANY (US) 1996-10-03 WO disclosed
EP-0663856-A1 APPARATUS AND METHOD FOR MULTIPLE SIMULTANEOUS SYNTHESIS WARNER-LAMBERT COMPANY (US) 1995-07-26 EP disclosed
US-5324483-A Apparatus for multiple simultaneous synthesis WARNER-LAMBERT COMPANY (US) 1994-06-28 US disclosed
WO-1994008711-A1 APPARATUS AND METHOD FOR MULTIPLE SIMULTANEOUS SYNTHESIS WARNER-LAMBERT COMPANY (US) 1994-04-28 WO disclosed
US-5210193-A Bactericide AMERICAN CYANAMID COMPANY (US) 1993-05-11 US disclosed
US-5144057-A Process for the production of 3-oxocarboxylic acid esters LONZA LTD. (CH) 1992-09-01 US disclosed
US-4940710-A 7-(substituted)piperazinyl-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1990-07-10 US 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-20140155610-A1 PREPARATION OF PYRIDONECARBOXYLIC ACID ANTIBACTERIALS PGD, DPYD, HPD PTPN1 1418/4885ERCC5 2304/4885FEN1 593/4885

“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.