SCHEMBL3660962

SCHEMBL3660962

CC(=O)OC(c1cc2c(s1)CCN(C(C)=O)C2)C1(Br)C(=O)N2C(C(=O)O)=C(Cc3ccc([N+](=O)[O-])cc3)S[C@@H]21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
CASP6 P55212 2/20 0.31
BAZ2B Q9UIF8 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
PAX8 Q06710 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LCK P06239 1/20 0.31
RET P07949 1/20 0.31
PDGFRA P16234 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
SCHEMBL2955095 0.90 PRMT5 (0.34) PRMT5WDR77ALDH1A1LMNAMAPT
SCHEMBL3658722 0.82 PRMT5 (0.33) PRMT5WDR77CASP6BAZ2BMEN1
SCHEMBL5923296 0.76 OPRK1 (0.31)
SCHEMBL5907433 0.76
SCHEMBL5923093 0.76 TBXA2R (0.32) ALDH1A1MAPT
SCHEMBL2923296 0.73
SCHEMBL2929024 0.73
SCHEMBL2929025 0.73
SCHEMBL5923640 0.73
SCHEMBL679841 0.73

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, MGAM, PGLS PRMT5 677/4885WDR77 2903/4885CASP6 393/4885
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, PEPD, B2M PRMT5 1089/4885WDR77 2623/4885CASP6 352/4885

“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.