SCHEMBL2927448

SCHEMBL2927448

COc1ccc2c(c1)sc1nc(C(OC(C)=O)C3(Br)C(=O)N4C(C(=O)O)=C(Cc5ccc([N+](=O)[O-])cc5)SC43)cn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
TP53 P04637 3/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTPN11 Q06124 1/20 0.34
THRB P10828 2/20 0.33
SCD O00767 1/20 0.33
MITF O75030 1/20 0.33
APP P05067 2/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
CASP3 P42574 1/20 0.32
KMT2A Q03164 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32

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
SCHEMBL2927445 0.95 MAPT (0.33) MAPTRAB9ASMN1; SMN2SCDMITF
SCHEMBL2929025 0.92
SCHEMBL3594906 0.92
SCHEMBL2926743 0.92 MMP13 (0.30)
SCHEMBL2923296 0.90
SCHEMBL2929024 0.89
SCHEMBL3594904 0.88
SCHEMBL2926740 0.88
SCHEMBL3585092 0.86
SCHEMBL3585097 0.85

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-1499620-B1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES WYETH CORP (US) 2010-01-27 EP 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
EP-1499620-A1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES Wyeth (US) 2005-01-26 EP disclosed
US-20040132708-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-07-08 US disclosed
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-03-18 US disclosed
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH 2004-03-04 US disclosed
WO-2003093277-A1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES 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 (6 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 MAPT 3052/4885TP53 2992/4885RAB9A 1712/4885
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP MAPT 2034/4885TP53 3728/4885RAB9A 2490/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP MAPT 2034/4885TP53 3728/4885RAB9A 2490/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM MAPT 3913/4885TP53 3896/4885RAB9A 2285/4885
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 MAPT 3052/4885TP53 2992/4885RAB9A 1712/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP MAPT 2074/4885TP53 3602/4885RAB9A 2292/4885

“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.