SCHEMBL5205018

SCHEMBL5205018

CCNC(=O)CC(=O)OCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.64
MGAM O43451 1/20 0.64
SI P14410 1/20 0.64
MGAM2 Q2M2H8 1/20 0.64
ALDH1A1 P00352 5/20 0.46
TRPA1 O75762 1/20 0.46
TSHR P16473 2/20 0.44
PKM P14618 2/20 0.42
MAPT P10636 1/20 0.42
MCL1 Q07820 1/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FAAH O00519 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 1/20 0.39

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
SCHEMBL3584747 0.84 GAA (0.68) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18174485 0.84 GAA (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14898408 0.82 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4586391 0.82 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4578705 0.80 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3220536 0.80 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4578702 0.80 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14258687 0.80 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12072447 0.80 MGAM (0.48) GAAMGAMSIMGAM2TSHR
Malonic Acid Diethyl Ester SCHEMBL1331824 0.79 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1

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
US-20230133203-A1 Substituted Pyrazolo-Pyrimidines and Uses Thereof Verge Analytics, Inc. (US) 2023-05-04 US disclosed
CN-108342422-B Preparation method of N-substituted amino carbonyl ester compound and application of immobilized lipase 北京海美桐医药科技有限公司 2020-08-14 CN disclosed
WO-2019057821-A1 COUMARIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER LEAD DISCOVERY CENTER GMBH (DE) 2019-03-28 WO disclosed
US-8501784-B2 2-pyridone derivatives as neutrophil elastase inhibitors and their use ASTRAZENECA AB (SE) 2013-08-06 US disclosed
US-20120035157-A1 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2012-02-09 US disclosed
US-8063073-B2 2-pyridone derivatives as neutrophil elastase inhibitors and their use ASTRAZENECA AB (SE) 2011-11-22 US disclosed
US-20070203129-A1 2-Pyridone Derivatives As Neutrophil Elastase Inhibitors And Their Use ASTRAZENECA AB (SE) 2007-08-30 US disclosed
EP-1554246-B1 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2007-08-22 EP disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-20070043036-A1 2-Pyridone derivatives as neutrophil elastase inhibitors and their use ASTRAZENECA AB (SE) 2007-02-22 US disclosed
US-20060100207-A1 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2006-05-11 US disclosed
US-4407797-A ANTIULCER AGENT RHONE-POULENC SANTE (FR) 1983-10-04 US disclosed
US-4073783-A PENICILLINS PFIZER INC. (US) 1978-02-14 US disclosed
US-4025506-A PENICILLINS PFIZER INC. (US) 1977-05-24 US disclosed
US-4025504-A PENICILLINS PFIZER INC. (US) 1977-05-24 US disclosed
US-3951952-A 6-(ALPHA-(AMIDINO-AND IMIDOYLAMINOALKANOYLAMINO)ARACYLAMINO)-PENICILLANIC ACIDS PFIZER INC. (US) 1976-04-20 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 (5 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-20060100207-A1 Dihydropyridinone derivatives TNNI3, DHPS, TNNT2 GAA 2947/4885MGAM 3719/4885SI 4374/4885
US-20120035157-A1 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE SERPINB1, ELANE, SERPINE1 GAA 1032/4885MGAM 2461/4885SI 2772/4885
US-20070203129-A1 2-Pyridone Derivatives As Neutrophil Elastase Inhibitors And Their Use SERPINB1, ELANE, SERPINE1 GAA 1057/4885MGAM 2259/4885SI 2643/4885
US-20230133203-A1 Substituted Pyrazolo-Pyrimidines and Uses Thereof PIKFYVE, PIP4K2B, PIP4K2C GAA 792/4885MGAM 3989/4885SI 4381/4885
US-20070043036-A1 2-Pyridone derivatives as neutrophil elastase inhibitors and their use SERPINB1, ELANE, SERPINE1 GAA 1057/4885MGAM 2259/4885SI 2643/4885

“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.