SCHEMBL795358

SCHEMBL795358

CC(=O)NCCC(O)[C]=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
MTNR1A P48039 6/20 0.44
MTNR1B P49286 6/20 0.44
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PAOX Q6QHF9 3/20 0.38
ADRA1A P35348 1/20 0.36
F13A1 P00488 1/20 0.33
FOLH1 Q04609 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL794836 0.77
SCHEMBL8000519 0.77
SCHEMBL26198968 0.75
SCHEMBL6636082 0.75
SCHEMBL18478347 0.75
SCHEMBL800814 0.72
SCHEMBL293766 0.72
SCHEMBL24737759 0.71 KDM4E (0.46) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL27875475 0.71 KDM4E (0.46) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL11686140 0.71 MTNR1A (0.50) KDM4EMAPK1HIF1AMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9271993-B2 Treatment of bacterial infectious diseases UNIVERSITY OF ZURICH (CH) 2016-03-01 US disclosed
EP-2616079-B1 TREATMENT OF BACTERIAL INFECTIOUS DISEASES UNIV ZÜRICH (CH) 2015-10-14 EP disclosed
EP-2616079-A1 TREATMENT OF BACTERIAL INFECTIOUS DISEASES University of Zürich (CH) 2013-07-24 EP disclosed
US-20130165397-A1 TREATMENT OF BACTERIAL INFECTIOUS DISEASES ETH ZURICH (CH) 2013-06-27 US disclosed
WO-2012034955-A1 TREATMENT OF BACTERIAL INFECTIOUS DISEASES UNIVERSITY OF ZURICH (CH) 2012-03-22 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-20130165397-A1 TREATMENT OF BACTERIAL INFECTIOUS DISEASES APRT, BPGM, TLR5 KDM4E 4675/4885MAPK1 1278/4885HIF1A 1551/4885

“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.