SCHEMBL3586645

SCHEMBL3586645

CC(=O)OC(c1ccc2nc3n(c2c1)CCS3)C1(Br)C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CSC21

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
PLCG1 P19174 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5923637 0.97 NPC1 (0.30) NPC1KMT2A
SCHEMBL6810143 0.90
SCHEMBL5923380 0.86 POLB (0.32) NPC1POLBSMN1; SMN2
SCHEMBL3555646 0.80 NPC1 (0.33) NPC1KMT2APLCG1POLBSMN1; SMN2
SCHEMBL3592569 0.80 MAPT (0.33) KMT2APOLBSMN1; SMN2
SCHEMBL5923640 0.79
SCHEMBL3588884 0.79 L3MBTL1 (0.32) PLCG1POLBSMN1; SMN2
SCHEMBL3548659 0.78 PLCG1 (0.34) PLCG1
SCHEMBL2922953 0.77 PLCG1 (0.33) NPC1KMT2APLCG1
SCHEMBL4258695 0.77 CXCR3 (0.34) KMT2APLCG1

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 NPC1 800/4885KMT2A 3127/4885PLCG1 3678/4885
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP NPC1 1676/4885KMT2A 1255/4885PLCG1 2494/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP NPC1 1676/4885KMT2A 1255/4885PLCG1 2494/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM NPC1 2769/4885KMT2A 760/4885PLCG1 3025/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP NPC1 1423/4885KMT2A 1337/4885PLCG1 2469/4885

“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.