SCHEMBL6238614

SCHEMBL6238614

COC(=O)C(=O)c1cccc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GRM5 P41594 2/20 0.42
ALDH1A1 P00352 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LCK P06239 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
GRM4 Q14833 1/20 0.38
ATR Q13535 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL1857045 0.86 ALDH1A1 (0.48) KDM4ELMNAGRM5ALDH1A1RXFP1
SCHEMBL29988307 0.84 KDM4E (0.62) KDM4ELMNAGRM5ALDH1A1RXFP1
SCHEMBL5777729 0.84 KDM4E (0.62) KDM4ELMNAGRM5ALDH1A1RXFP1
SCHEMBL29394473 0.83 LCK (0.47) RXFP1LCKMEN1KMT2APOLB
SCHEMBL1712579 0.81 ALDH1A1 (0.51) LMNAGRM5ALDH1A1RXFP1LCK
SCHEMBL29510654 0.81 ALDH1A1 (0.51) LMNAGRM5ALDH1A1RXFP1LCK
SCHEMBL5779246 0.80 KDM4E (0.40) KDM4ELMNAGRM5ALDH1A1RXFP1
SCHEMBL465834 0.78 CYP1A2 (0.59) KDM4ELMNAGRM5ALDH1A1LCK
SCHEMBL28997343 0.78 SORT1 (0.48) GRM5RXFP1LCKMEN1KMT2A
SCHEMBL22523913 0.78 LCK (0.43) LCKMEN1KMT2AATRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222194-B1 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF TRINE PHARMACEUTICALS INC (US) 2005-06-15 EP disclosed
US-6723716-B1 BACTERICIDE FOR STAPHYLOCOCCUS ESSENTIAL THERAPEUTICS, INC. 2004-04-20 US disclosed
EP-1222194-A1 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF Essential Therapeutics, Inc. (US) 2002-07-17 EP disclosed
WO-2001021623-A1 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF ESSENTIAL THERAPEUTICS, INC. (US) 2001-03-29 WO disclosed
US-6030965-A WIDE SPECTRAM ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-02-29 US disclosed
US-6025352-A Cephalosporin antibiotics MICROCIDE PHARMACEUTICALS, INC. (US) 2000-02-15 US disclosed