SCHEMBL3584411

SCHEMBL3584411

CCOC(=O)c1cc2oc3c(n2n1)CCCC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
ALOX15 P16050 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
GAA P10253 3/20 0.38
KDM4E B2RXH2 6/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HPGD P15428 3/20 0.37
POLB P06746 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.36
NLRP3 Q96P20 1/20 0.35

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
SCHEMBL3591560 0.84 ADORA3 (0.37) ALDH1A1KMT2AADORA3GAAKDM4E
SCHEMBL2928372 0.69 NPC1 (0.43) ALDH1A1KMT2ALMNAKDM4ENPC1
SCHEMBL6379433 0.69 NPC1 (0.44) ALDH1A1KMT2AALOX15LMNAGAA
SCHEMBL6381453 0.67 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTALOX15MEN1
SCHEMBL15519242 0.66 CYP1A2 (0.46) ALDH1A1KMT2AMAPTLMNAADORA3
SCHEMBL3597371 0.66 ALDH1A1 (0.38) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL6380218 0.66 NPC1 (0.40) ALDH1A1KMT2AMAPTALOX15MEN1
SCHEMBL2929174 0.65 NPC1 (0.41) ALDH1A1KMT2AMEN1LMNAMAPK1
SCHEMBL18939348 0.65 KMT2A (0.45) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL21523685 0.64 KMT2A (0.48) ALDH1A1KMT2AMAPTALOX15MEN1

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 12 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
EP-1885358-A2 TRICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D ß-LACTAMASES INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-02-13 EP disclosed
WO-2007030166-A2 TRICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D β-LACTAMASES INHIBITORS WYETH (US) 2007-03-15 WO 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
EP-1499622-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS Wyeth (US) 2005-01-26 EP disclosed
US-20040132708-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-07-08 US disclosed
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH 2004-03-04 US disclosed
WO-2003093280-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS ΒΕΤΑ-LACTAMASE INHIBITORS WYETH (US) 2003-11-13 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 (5 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-20040132708-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 ALDH1A1 998/4885KMT2A 3127/4885MAPT 3052/4885
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP ALDH1A1 765/4885KMT2A 1255/4885MAPT 2034/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP ALDH1A1 765/4885KMT2A 1255/4885MAPT 2034/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM ALDH1A1 920/4885KMT2A 760/4885MAPT 3913/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP ALDH1A1 646/4885KMT2A 1337/4885MAPT 2074/4885

“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.