SCHEMBL3555002

SCHEMBL3555002

CC(=O)OC(c1cc2c(o1)CCC2)C1(Br)C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.34
PAX8 Q06710 1/20 0.34
HTT P42858 2/20 0.33
PLCG1 P19174 1/20 0.33

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
SCHEMBL3555003 1.00 POLB (0.37) POLBSMN1; SMN2NPC1KMT2ARAB9A
SCHEMBL4794959 1.00 POLB (0.37) POLBSMN1; SMN2NPC1KMT2ARAB9A
SCHEMBL3555806 0.89 KMT2A (0.35) POLBSMN1; SMN2NPC1KMT2ARAB9A
SCHEMBL5907442 0.80 NPC1 (0.34) POLBSMN1; SMN2NPC1KMT2ARAB9A
SCHEMBL3658722 0.80 PRMT5 (0.33) POLBSMN1; SMN2NPC1KMT2ARAB9A
SCHEMBL2928562 0.80 PLCG1 (0.34) POLBSMN1; SMN2NPC1KMT2AHTT
SCHEMBL3548893 0.79 POLB (0.32) POLBSMN1; SMN2NPC1KMT2AHTT
SCHEMBL5907432 0.79 NPC1 (0.38) POLBSMN1; SMN2NPC1KMT2ARAB9A
SCHEMBL5923132 0.79 POLB (0.32) POLBSMN1; SMN2PLCG1
SCHEMBL3555646 0.79 NPC1 (0.33) POLBSMN1; SMN2NPC1KMT2ARAB9A

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
US-7812014-B2 Bicyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH LLC (US) 2010-10-12 US disclosed
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors WYETH (US) 2008-12-18 US disclosed
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors WYETH (US) 2006-12-07 US disclosed
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH (US) 2006-09-28 US disclosed
US-7112582-B2 Bicyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH (US) 2006-09-26 US disclosed
US-20040132708-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-07-08 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 (4 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 POLB 338/4885SMN1; SMN2 1450/4885NPC1 800/4885
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, MGAM, PGLS POLB 886/4885SMN1; SMN2 3690/4885NPC1 2612/4885
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, BPGM, B2M POLB 376/4885SMN1; SMN2 2073/4885NPC1 1707/4885
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, PEPD, B2M POLB 329/4885SMN1; SMN2 3122/4885NPC1 2248/4885

“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.