SCHEMBL3591560

SCHEMBL3591560

CCOC(=O)c1cc2oc3c(n2n1)CCOC3

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
PIK3CA P42336 1/20 0.34
DGAT1 O75907 4/20 0.34
SOAT1 P35610 3/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CLK1 P49759 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
SCHEMBL3584411 0.84 ALDH1A1 (0.39) ADORA3KDM4EALDH1A1POLBHPGD
SCHEMBL13455814 0.75
SCHEMBL3589472 0.72
SCHEMBL13424026 0.70
SCHEMBL3551607 0.69 PIK3CA (0.44) KDM4EALDH1A1PIK3CADGAT1SOAT1
SCHEMBL17505221 0.65 CCNA2 (0.39) ADORA3KDM4EALDH1A1POLBHPGD
SCHEMBL3588423 0.65 GAA (0.43) KDM4EALDH1A1POLBHPGDCYP1A2
SCHEMBL24289261 0.64 UGCG (0.41) KDM4EALDH1A1HPGDKMT2A
SCHEMBL20027160 0.64 NLRP3 (0.41) KDM4EALDH1A1POLBHPGDPIK3CA
SCHEMBL1776136 0.64 FAAH (0.38) PIK3CACYP1A2KMT2AGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691842-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH LLC (US) 2010-04-06 US disclosed
EP-1499622-B1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS WYETH CORP (US) 2009-03-11 EP disclosed
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors WYETH (US) 2008-12-25 US disclosed
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors WYETH (US) 2006-12-07 US disclosed
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH (US) 2006-04-06 US disclosed
US-7018997-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH (US) 2006-03-28 US disclosed
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH 2004-03-04 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-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP ADORA3 4098/4885KDM4E 1243/4885ALDH1A1 765/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP ADORA3 4098/4885KDM4E 1243/4885ALDH1A1 765/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM ADORA3 3485/4885KDM4E 651/4885ALDH1A1 920/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP ADORA3 4213/4885KDM4E 1360/4885ALDH1A1 646/4885

“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.