SCHEMBL4685380

SCHEMBL4685380

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
GLO1 Q04760 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALOX15 P16050 3/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL9686224 0.83 HCAR2 (0.38) ALDH1A1HSD17B10LMNAGLO1CYP2D6
SCHEMBL271883 0.83 MGAM (0.44) ALDH1A1HSD17B10LMNATDP1CYP2D6
SCHEMBL14289991 0.82 ALDH1A1 (0.37) ALDH1A1HSD17B10LMNAGLO1TDP1
SCHEMBL24444087 0.82 ALDH1A1 (0.39) ALDH1A1HSD17B10LMNAGLO1TDP1
SCHEMBL1495985 0.80 ALDH1A1 (0.42) ALDH1A1HSD17B10LMNAGLO1CYP2D6
SCHEMBL1516015 0.77 ALDH1A1 (0.39) ALDH1A1HSD17B10LMNAGLO1TDP1
SCHEMBL14362323 0.77 ALDH1A1 (0.39) ALDH1A1HSD17B10LMNAGLO1CYP2D6
SCHEMBL9127668 0.77 ALDH1A1 (0.39) ALDH1A1HSD17B10LMNAGLO1CYP2D6
SCHEMBL27568422 0.75 ALDH1A1 (0.37) ALDH1A1HSD17B10LMNACYP2C9CYP2C19
SCHEMBL2873058 0.75 ALDH1A1 (0.43) ALDH1A1TDP1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160367557-A1 HETEROCYCLIC PYRIMIDINE CARBONIC ACID DERIVATIVES WHICH ARE USEFUL IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH 2016-12-22 US disclosed
US-20160362423-A1 7-OXO-THIAZOLOPYRIDINE CARBONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2016-12-15 US disclosed
US-9434745-B2 7-oxo-thiazolopyridine carbonic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease SAVIRA PHARMACEUTICALS GMBH (AT) 2016-09-06 US disclosed
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US disclosed
EP-1675832-B1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LTD (GB) 2008-02-20 EP disclosed
EP-1675832-B1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LTD (GB) 2008-02-20 EP disclosed
US-20070060596-A1 Heterocyclyl compounds GLAXO GROUP LIMITED (GB) 2007-03-15 US disclosed
US-20070060596-A1 Heterocyclyl compounds GLAXO GROUP LIMITED (GB) 2007-03-15 US disclosed
US-20070060596-A1 Heterocyclyl compounds GLAXO GROUP LIMITED (GB) 2007-03-15 US disclosed
EP-1675832-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005040128-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-05-06 WO disclosed
US-6114358-A Thrombin inhibitors BASF AKTIENGESELLSCHAFT (DE) 2000-09-05 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 (4 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-20160362423-A1 7-OXO-THIAZOLOPYRIDINE CARBONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE CA7, TLR7, ALAD ALDH1A1 622/4885HSD17B10 822/4885LMNA 2951/4885
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS SRC, PTK2, FYN ALDH1A1 3377/4885HSD17B10 4688/4885LMNA 4743/4885
US-20070060596-A1 Heterocyclyl compounds F9, F12, CYP2C9 ALDH1A1 3505/4885HSD17B10 3241/4885LMNA 897/4885
US-20160367557-A1 HETEROCYCLIC PYRIMIDINE CARBONIC ACID DERIVATIVES WHICH ARE USEFUL IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE ALAD, XDH, UACA ALDH1A1 776/4885HSD17B10 803/4885LMNA 2069/4885

“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.