SCHEMBL3593402

SCHEMBL3593402

COC(=O)c1ccc2c(c1)NC(=O)c1ccccc1O2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.74
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 3/20 0.47
POLB P06746 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TP53 P04637 2/20 0.47
THRB P10828 1/20 0.47
BLM P54132 1/20 0.47
TRPA1 O75762 1/20 0.46
ABL1 P00519 1/20 0.45
ROCK2 O75116 1/20 0.44
CSF1R P07333 1/20 0.44
KDR P35968 1/20 0.44
FLT3 P36888 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK5 Q00535 1/20 0.44

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
SCHEMBL11221903 0.86 ALOX5 (0.55) ALOX5RAB9ANPC1MEN1KMT2A
SCHEMBL17086074 0.84 ALOX5 (0.55) ALOX5MEN1KMT2ATDP1POLB
SCHEMBL4748216 0.84 ALOX5 (0.71) ALOX5MEN1KMT2ATDP1POLB
SCHEMBL25666864 0.84 ALOX5 (0.57) ALOX5RAB9ANPC1MEN1KMT2A
SCHEMBL23018477 0.81 ALOX5 (0.53) ALOX5TP53ABL1MAPTHTR7
SCHEMBL8321281 0.81 ALOX5 (0.65) ALOX5RAB9ANPC1MEN1KMT2A
SCHEMBL19975280 0.80 ALOX5 (0.63) ALOX5RAB9ANPC1MEN1KMT2A
SCHEMBL7897966 0.80 ALOX5 (0.54) ALOX5MEN1KMT2ATDP1POLB
SCHEMBL23191196 0.79 ABL1 (0.66) ABL1
SCHEMBL9274293 0.79 MAPT (0.54) MEN1KMT2ATDP1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
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-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 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
US-20040132708-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-07-08 US disclosed
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-03-18 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 (7 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 ALOX5 1724/4885RAB9A 1712/4885NPC1 800/4885
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP ALOX5 2114/4885RAB9A 2490/4885NPC1 1676/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP ALOX5 2114/4885RAB9A 2490/4885NPC1 1676/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM ALOX5 2882/4885RAB9A 2285/4885NPC1 2769/4885
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 ALOX5 1724/4885RAB9A 1712/4885NPC1 800/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP ALOX5 2277/4885RAB9A 2292/4885NPC1 1423/4885
US-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 ALOX5 4014/4885RAB9A 2909/4885NPC1 1197/4885

“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.