SCHEMBL4534473

SCHEMBL4534473

CCOC=CC(=O)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.39
HCAR2 Q8TDS4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
FFAR3 O14843 1/20 0.32
POLB P06746 1/20 0.32
POLA1 P09884 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
TOP2A P11388 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
SCHEMBL4534469 1.00 CASP1 (0.39) CASP1HCAR2ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL7238935 0.83 CASP1 (0.39) CASP1HCAR2ALDH1A1POLBPOLA1
SCHEMBL7238928 0.83 CASP1 (0.39) CASP1HCAR2ALDH1A1POLBPOLA1
SCHEMBL4464746 0.79
SCHEMBL4464742 0.79
SCHEMBL15167421 0.79 GAA (0.54) CASP1HCAR2ALDH1A1POLBPOLA1
SCHEMBL5593767 0.79 GAA (0.54) CASP1HCAR2ALDH1A1POLBPOLA1
SCHEMBL10815076 0.77 EGLN1 (0.37) CASP1HCAR2ALDH1A1CYP2D6LDHA
SCHEMBL17208355 0.77 EGLN1 (0.37) CASP1HCAR2ALDH1A1CYP2D6LDHA
SCHEMBL278041 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007086076-A2 AN IMPROVED PROCESS FOR PREPARATION OF LEFLUNOMIDE UNICHEM LABORATORIES LIMITED (IN) 2007-08-02 WO claimed
EP-3102570-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES Syngenta Participations AG (CH) 2016-12-14 EP disclosed
US-9150555-B2 Amide derivative and use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-10-06 US disclosed
WO-2015117563-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2015-08-13 WO disclosed
EP-2657230-A1 AMIDE DERIVATIVE AND USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2013-10-30 EP disclosed
US-20130211075-A1 AMIDE DERIVATIVE AND USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-15 US disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 EP disclosed
US-6552018-B1 As antitumor agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-22 US disclosed
US-6169086-B1 AN ANTITUMOR AGENT FOR TREATING TUMOR RESISTANT TO 5-FLUOROURACIL TYPE DRUGS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-0190265-A4 PYRIDONE ESTERS AS INOTROPIC AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1987-07-09 EP disclosed
EP-0190265-A1 PYRIDONE ESTERS AS INOTROPIC AGENTS. AMERICAN HOSPITAL SUPPLY CORP (US) 1986-08-13 EP disclosed
WO-1986001202-A1 PYRIDONE ESTERS AS INOTROPIC AGENTS AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1986-02-27 WO disclosed
US-4087535-A ANALGESICS, ANTIINFLAMMATORY AGENTS HOECHST AKTIENGESELLSCHAFT (DT) 1978-05-02 US disclosed
US-4061767-A ANTIINFLAMMATORY, ANALGESIC HOECHST AKTIENGESELLSCHAFT (DT) 1977-12-06 US disclosed
US-3987051-A Method for producing 1-unsubstituted pyrazolo[3,4-b]pyridine ketones E. R. SQUIBB & SONS, INC. (US) 1976-10-19 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 (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-20130211075-A1 AMIDE DERIVATIVE AND USE THEREOF IL2, IL4, IL5 CASP1 489/4885HCAR2 108/4885ALDH1A1 628/4885
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR CASP1 510/4885HCAR2 705/4885ALDH1A1 1755/4885

“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.