SCHEMBL3553099

SCHEMBL3553099

CC(=O)OC(c1cc2n(n1)CCS(=O)(=O)C2)C1(Br)C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PLCG1 P19174 1/20 0.31

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
SCHEMBL4793435 1.00 HTT (0.32) HTTNPC1KMT2APOLBSMN1; SMN2
SCHEMBL5907432 0.88 NPC1 (0.38) NPC1KMT2APOLBSMN1; SMN2PLCG1
SCHEMBL3545937 0.88 NPC1 (0.32) HTTNPC1KMT2APOLBSMN1; SMN2
SCHEMBL3545934 0.88 NPC1 (0.32) HTTNPC1KMT2APOLBSMN1; SMN2
SCHEMBL2928562 0.87 PLCG1 (0.34) HTTNPC1KMT2APOLBSMN1; SMN2
SCHEMBL3546268 0.87 POLB (0.32) HTTNPC1KMT2APOLBSMN1; SMN2
SCHEMBL3548893 0.85 POLB (0.32) HTTNPC1KMT2APOLBSMN1; SMN2
SCHEMBL3555646 0.85 NPC1 (0.33) HTTNPC1KMT2APOLBSMN1; SMN2
SCHEMBL5907442 0.85 NPC1 (0.34) HTTNPC1KMT2APOLBSMN1; SMN2
SCHEMBL3551123 0.84 NPC1 (0.31) NPC1KMT2APLCG1

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 5 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-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 HTT 3885/4885NPC1 800/4885KMT2A 3127/4885
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, MGAM, PGLS HTT 4784/4885NPC1 2612/4885KMT2A 803/4885
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, BPGM, B2M HTT 4701/4885NPC1 1707/4885KMT2A 1229/4885
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, PEPD, B2M HTT 4578/4885NPC1 2248/4885KMT2A 878/4885

“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.