SCHEMBL3549897

SCHEMBL3549897

CC(=O)OC(c1cn2c(n1)CN(Cc1ccccc1)CC2)C1(Br)C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
PLCG1 P19174 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCR5 P51681 2/20 0.33
SIGMAR1 Q99720 2/20 0.32
ATM Q13315 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
SCHEMBL3044789 1.00 TDP1 (0.35) TDP1PLCG1ALDH1A1LMNAKDM4E
SCHEMBL3549899 1.00 TDP1 (0.35) TDP1PLCG1ALDH1A1LMNAKDM4E
SCHEMBL3555617 0.90 PLCG1 (0.33) PLCG1ALDH1A1SMN1; SMN2ATM
SCHEMBL3555614 0.90 PLCG1 (0.33) PLCG1ALDH1A1SMN1; SMN2ATM
SCHEMBL3048181 0.90 PLCG1 (0.33) PLCG1ALDH1A1SMN1; SMN2ATM
SCHEMBL2929065 0.90 PLCG1 (0.32) PLCG1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2922953 0.87 PLCG1 (0.33) PLCG1
SCHEMBL3554106 0.86 ATM (0.34) TDP1PLCG1ALDH1A1MAPTATM
SCHEMBL3554113 0.86 ATM (0.34) TDP1PLCG1ALDH1A1MAPTATM
SCHEMBL2925751 0.86 ATM (0.34) TDP1PLCG1ALDH1A1MAPTATM

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 7 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
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-03-18 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 TDP1 4462/4885PLCG1 3678/4885ALDH1A1 998/4885
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, MGAM, PGLS TDP1 3664/4885PLCG1 2300/4885ALDH1A1 1005/4885
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, BPGM, B2M TDP1 3693/4885PLCG1 2594/4885ALDH1A1 652/4885
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 TDP1 4462/4885PLCG1 3678/4885ALDH1A1 998/4885
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, PEPD, B2M TDP1 4068/4885PLCG1 3757/4885ALDH1A1 1105/4885

“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.