SCHEMBL2955090

SCHEMBL2955090

CC(=O)OC(c1cc2c(s1)CCN(Cc1ccccc1)C2)C1(Br)C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CSC21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
PLCG1 P19174 1/20 0.35
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
ACHE P22303 1/20 0.32
CCR5 P51681 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
KDM4E B2RXH2 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
SCHEMBL3658722 0.89 PRMT5 (0.33) TDP1PLCG1PRMT5WDR77ALDH1A1
SCHEMBL2955095 0.83 PRMT5 (0.34) TDP1PRMT5WDR77ALDH1A1LMNA
SCHEMBL3044789 0.82 TDP1 (0.35) TDP1PLCG1ALDH1A1LMNACCR5
SCHEMBL3549899 0.82 TDP1 (0.35) TDP1PLCG1ALDH1A1LMNACCR5
SCHEMBL3549897 0.82 TDP1 (0.35) TDP1PLCG1ALDH1A1LMNACCR5
SCHEMBL3555003 0.78 POLB (0.37) PLCG1
SCHEMBL4794959 0.78 POLB (0.37) PLCG1
SCHEMBL3555002 0.78 POLB (0.37) PLCG1
SCHEMBL3555806 0.76 KMT2A (0.35) PLCG1ALDH1A1LMNA
SCHEMBL4258695 0.76 CXCR3 (0.34) PLCG1CCR5

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 11 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
EP-1499620-B1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES WYETH CORP (US) 2010-01-27 EP disclosed
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors WYETH (US) 2008-12-18 US disclosed
EP-1988093-A1 Bicyclic 6-alkylidene-penems as beta-lactamases inhibitors Wyeth a Corporation of the State of Delaware (US) 2008-11-05 EP 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
EP-1499620-A1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES Wyeth (US) 2005-01-26 EP disclosed
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors WYETH 2004-04-22 US disclosed
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-03-18 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 (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-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, MGAM, PGLS TDP1 3664/4885PLCG1 2300/4885PRMT5 677/4885
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, BPGM, B2M TDP1 3693/4885PLCG1 2594/4885PRMT5 1130/4885
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 TDP1 4462/4885PLCG1 3678/4885PRMT5 2204/4885
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors PGLS, BPGM, B2M TDP1 3165/4885PLCG1 2492/4885PRMT5 597/4885
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, PEPD, B2M TDP1 4068/4885PLCG1 3757/4885PRMT5 1089/4885

“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.