SCHEMBL3658722

SCHEMBL3658722

CC(=O)OC(c1cc2c(s1)CCN(C(C)=O)C2)C1(Br)C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
NPC1 O15118 2/20 0.32
KMT2A Q03164 2/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
POLB P06746 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PLCG1 P19174 1/20 0.31
CASP6 P55212 2/20 0.31
BAZ2B Q9UIF8 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
MITF O75030 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
PAX8 Q06710 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL2955090 0.89 TDP1 (0.35) PRMT5WDR77PLCG1ALDH1A1LMNA
SCHEMBL3660962 0.82 PRMT5 (0.33) PRMT5WDR77NPC1KMT2APOLB
SCHEMBL3555806 0.81 KMT2A (0.35) NPC1KMT2APOLBSMN1; SMN2PLCG1
SCHEMBL3555002 0.80 POLB (0.37) NPC1KMT2APOLBSMN1; SMN2PLCG1
SCHEMBL4794959 0.80 POLB (0.37) NPC1KMT2APOLBSMN1; SMN2PLCG1
SCHEMBL3555003 0.80 POLB (0.37) NPC1KMT2APOLBSMN1; SMN2PLCG1
SCHEMBL3555646 0.78 NPC1 (0.33) NPC1KMT2APOLBSMN1; SMN2PLCG1
SCHEMBL3545934 0.78 NPC1 (0.32) NPC1KMT2APOLBSMN1; SMN2PLCG1
SCHEMBL3545937 0.78 NPC1 (0.32) NPC1KMT2APOLBSMN1; SMN2PLCG1
SCHEMBL2929065 0.78 PLCG1 (0.32) NPC1KMT2ASMN1; SMN2PLCG1HTT

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-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
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
EP-1885357-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D BETA-LACTAMASES INHIBITORS Wyeth (US) 2008-02-13 EP disclosed
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors WYETH (US) 2006-12-07 US disclosed
WO-2006130588-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D BETA-LACTAMASES INHIBITORS WYETH (US) 2006-12-07 WO 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-1499621-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASES INHIBITORS Wyeth (US) 2005-01-26 EP disclosed
US-20040132708-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-07-08 US disclosed
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors WYETH 2004-04-22 US disclosed
WO-2003093279-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS ß-LACTAMASES INHIBITORS 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-20040132708-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 PRMT5 2204/4885WDR77 2104/4885NPC1 800/4885
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, MGAM, PGLS PRMT5 677/4885WDR77 2903/4885NPC1 2612/4885
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, BPGM, B2M PRMT5 1130/4885WDR77 3189/4885NPC1 1707/4885
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors PGLS, BPGM, B2M PRMT5 597/4885WDR77 3085/4885NPC1 1173/4885
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, PEPD, B2M PRMT5 1089/4885WDR77 2623/4885NPC1 2248/4885

“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.