SCHEMBL3597405

SCHEMBL3597405

CCOC(=O)N1CCc2c(cnc3nc(C(OC(C)=O)C4(Br)C(=O)N5C(C(=O)OCc6ccc([N+](=O)[O-])cc6)=CS[C@@H]54)nn23)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL5923529 0.86 GABRP (0.31)
SCHEMBL5923314 0.83 POLB (0.32) ALDH1A1MAPTSMN1; SMN2
SCHEMBL5923132 0.82 POLB (0.32) SMN1; SMN2
SCHEMBL3555806 0.82 KMT2A (0.35) KMT2AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3545937 0.77 NPC1 (0.32) L3MBTL1KMT2ASMN1; SMN2
SCHEMBL2929065 0.77 PLCG1 (0.32) KMT2AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3658722 0.77 PRMT5 (0.33) KMT2AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3545934 0.77 NPC1 (0.32) L3MBTL1KMT2ASMN1; SMN2
SCHEMBL3588572 0.75 PLCG1 (0.35) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3037698 0.75 PLCG1 (0.35) L3MBTL1ALDH1A1SMN1; SMN2

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 8 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-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

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 MAOB 505/4885L3MBTL1 2964/4885KMT2A 3127/4885
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP MAOB 58/4885L3MBTL1 661/4885KMT2A 1255/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP MAOB 58/4885L3MBTL1 661/4885KMT2A 1255/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM MAOB 27/4885L3MBTL1 373/4885KMT2A 760/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP MAOB 74/4885L3MBTL1 610/4885KMT2A 1337/4885

“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.