SCHEMBL6236607

SCHEMBL6236607

Cc1ccc(CNNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
ESRRG P62508 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6445761 0.89 ESRRG (0.55) GAACA12CA1CA7CA14
SCHEMBL9971059 0.87 GAA (0.51) GAACA12CA1CA7CA14
SCHEMBL4025879 0.86 GAA (0.68) GAACA12CA1CA7CA14
SCHEMBL1668799 0.86 GAA (0.50) GAACA12CA1CA7CA14
SCHEMBL13903558 0.86 ESRRG (0.60) GAACA1ESRRGMEN1KMT2A
SCHEMBL4632779 0.85 CA12 (0.60) GAACA12CA1CA7CA14
SCHEMBL2493016 0.84 NPC1 (0.49) GAAPPARGPPARAMEN1KMT2A
SCHEMBL5796279 0.83 L3MBTL1 (0.56) GAACA1MEN1KMT2ASMN1; SMN2
SCHEMBL12643777 0.83 GAA (0.58) GAAMEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL8203874 0.83 RAB9A (0.56) GAACA12CA1CA7CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US disclosed
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US disclosed
EP-1335908-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS LILLY CO ELI (US) 2008-02-13 EP disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 US disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 US disclosed
EP-1004582-B1 Pyridazino quinoline compounds ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
EP-0790996-B1 PYRIDAZINOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-03-27 EP disclosed
US-6232313-B1 TREATING STROKE OR EPILEPTIC CONVULSIONS ASSOCIATED WITH EXCESSIVE CALCIUM INFLUX IN THE BRAIN CAUSED BY EXCITATORY AMINO ACIDS ZENECA LIMITED (GB) 2001-05-15 US disclosed
US-6214826-B1 NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 2001-04-10 US disclosed
EP-0724583-B1 PYRIDAZINO QUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2000-12-13 EP disclosed
US-5744471-A NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 1998-04-28 US disclosed
EP-0790996-A1 PYRIDAZINOQUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1997-08-27 EP disclosed
US-5631376-A PEPTIDE DERIVATIVES FOR TREATMENT OF AIDS ABBOTT LABORATORIES (US) 1997-05-20 US disclosed
US-5621109-A OXAZOLE/THIAZOLE DERIVATIVES OF HYDROXYMETHYL HYDRAZONES; SIDE EFFECT REDUCTION ABBOTT LABORATORIES (US) 1997-04-15 US disclosed
EP-0724583-A1 PYRIDAZINO QUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1996-08-07 EP disclosed
WO-1996015127-A1 PYRIDAZINOQUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1996-05-23 WO disclosed
US-5461067-A For HIV infections ABBOTT LABORATORIES (US) 1995-10-24 US disclosed
EP-0672678-A1 Azapeptide derivative FUJIREBIO Inc. (JP) 1995-09-20 EP disclosed
WO-1995011244-A1 PYRIDAZINO QUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1995-04-27 WO disclosed
WO-1994019332-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-09-01 WO 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-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS PPARG, PPARA, PPARD GAA 3979/4885CA12 3953/4885CA1 3797/4885

“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.