SCHEMBL3613755

SCHEMBL3613755

COC(=O)N1CCC(C(=O)O)C(OC)(OC)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.39
EPHX1 P07099 1/20 0.37
CYP2C19 P33261 6/20 0.35
CYP3A4 P08684 5/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 6/20 0.35
CYP2C9 P11712 5/20 0.35
CYP2D6 P10635 4/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 3/20 0.35
BRD4 O60885 2/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL31597078 0.82 EPHX1 (0.38) USP2EPHX1CYP2C19CYP3A4HSD17B10
SCHEMBL27766729 0.81 MAPT (0.43) CYP2C19CYP3A4CYP2C9CYP2D6ALDH1A1
SCHEMBL3622678 0.77 EPHX1 (0.40) USP2EPHX1CYP2C19CYP3A4HSD17B10
SCHEMBL3498368 0.70 LMNA (0.55) EPHX1HSD17B10BRD4SMN1; SMN2KMT2A
SCHEMBL23925613 0.69 SLC1A2 (0.41) CYP2C19CYP1A2CYP2C9ALDH1A1TSHR
SCHEMBL22369248 0.68 EPHX1 (0.39) USP2EPHX1CYP2C19CYP3A4HSD17B10
SCHEMBL18095946 0.68 EPHX1 (0.37) USP2EPHX1CYP2C19CYP3A4HSD17B10
SCHEMBL30868652 0.67 LMNA (0.47) HSD17B10ALDH1A1CHRNB2CHRNA4CHRNB4
SCHEMBL23714589 0.67 EPHX1 (0.41) USP2EPHX1CYP2C19CYP3A4HSD17B10
SCHEMBL12883924 0.67 EPHX1 (0.38) USP2EPHX1CYP2C19CYP3A4HSD17B10

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
US-20100286181-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2010-11-11 US disclosed
CN-101558066-A Pyrrole derivatives with antibacterial activity ASTRAZENECA AB (SE) 2009-10-14 CN 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 (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-20100286181-A1 PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY PGLS, UROD, GMPS USP2 4056/4885EPHX1 3801/4885CYP2C19 191/4885

“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.