SCHEMBL3824259

SCHEMBL3824259

[CH2]CC(NC=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 2/20 0.41
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH7 P40394 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL5110183 0.87 EPHX1 (0.45) EPHX1MEN1KMT2ATAAR1SLC1A3
SCHEMBL21383798 0.83 EPHX1 (0.47) EPHX1MEN1KMT2ATAAR1SLC1A3
SCHEMBL6108993 0.83 EPHX1 (0.50) EPHX1MEN1KMT2ATAAR1SLC1A3
SCHEMBL8727615 0.81 EPHX1 (0.45) EPHX1MEN1KMT2ATAAR1SLC1A3
SCHEMBL431115 0.81 KMT2A (0.46) EPHX1MEN1KMT2ATAAR1SLC1A3
SCHEMBL10351967 0.77 SLC1A1 (0.47) EPHX1MEN1KMT2ATAAR1SLC1A3
SCHEMBL10581083 0.76 HTT (0.46) EPHX1MEN1KMT2ATAAR1SLC1A3
SCHEMBL10584194 0.75 NR4A1 (0.47) EPHX1MEN1KMT2ATAAR1SLC1A3
SCHEMBL2269230 0.73 SLC1A1 (0.53) EPHX1MEN1KMT2ATAAR1SLC1A3
SCHEMBL7862000 0.72 FDPS (0.48) EPHX1MEN1KMT2ASLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1625153-B1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES AICURIS GMBH & CO KG (DE) 2009-08-26 EP disclosed
EP-1625153-A1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES Bayer HealthCare AG (DE) 2006-02-15 EP disclosed
US-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides BAYER HEALTHCARE AG (DE) 2005-04-07 US disclosed
WO-2004099239-A1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES BAYER HEALTHCARE AG (DE) 2004-11-18 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-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides VIP, LNPEP, HAMP EPHX1 4613/4885MEN1 841/4885KMT2A 3838/4885

“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.