SCHEMBL3621130

SCHEMBL3621130

COCC(COC)NC=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.39
ADH1A P07327 4/20 0.39
ADH1C P00326 3/20 0.39
EPHX1 P07099 1/20 0.35
SLC6A4 P31645 1/20 0.34
ADH7 P40394 2/20 0.31
ADH4 P08319 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
SCHEMBL12360635 0.88
SCHEMBL21032182 0.86
SCHEMBL24331076 0.80 ADH1B (0.33) ADH1BADH1AADH1CADH7ADH4
SCHEMBL24299066 0.80
SCHEMBL24324051 0.80
SCHEMBL1919467 0.80
SCHEMBL3029184 0.77
SCHEMBL1858350 0.77
SCHEMBL730294 0.75
SCHEMBL12360632 0.75 ADH1B (0.34) ADH1BADH1AADH1CEPHX1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286181-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2010-11-11 US claimed
EP-2064209-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2009-06-03 EP claimed
WO-2008020222-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2008-02-21 WO claimed
US-20100286181-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2010-11-11 US disclosed
US-20100137303-A1 NEW COMPOUND 255 ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137303-A1 NEW COMPOUND 255 ASTRAZENECA AB 2010-06-03 US disclosed
WO-2009147431-A1 THIAZOLO [5, 4-B] PYRIDINE AND OXAZOLO [5, 4-B] PYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2009-12-10 WO disclosed
EP-2064209-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2009-06-03 EP disclosed
WO-2008020222-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2008-02-21 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 (2 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-20100286181-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY PGLS, UROD, GMPS ADH1B 3355/4885ADH1A 1744/4885ADH1C 3027/4885
US-20100137303-A1 NEW COMPOUND 255 MRPS35, MRPL21, CYP51A1 ADH1B 3326/4885ADH1A 2575/4885ADH1C 4391/4885

“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.