SCHEMBL3549833

SCHEMBL3549833

CC(=O)OC(c1cn2c(n1)CCC(C)(C)C2)C1(Br)C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.32
HTT P42858 1/20 0.32
HTR2A P28223 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 2/20 0.30

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
SCHEMBL2922953 0.88 PLCG1 (0.33) PLCG1HTTHTR2A
SCHEMBL3554106 0.87 ATM (0.34) PLCG1HTTHTR2A
SCHEMBL3048181 0.87 PLCG1 (0.33) PLCG1HTTHTR2APOLBSMN1; SMN2
SCHEMBL3555617 0.87 PLCG1 (0.33) PLCG1HTTHTR2APOLBSMN1; SMN2
SCHEMBL3554113 0.87 ATM (0.34) PLCG1HTTHTR2A
SCHEMBL2925751 0.87 ATM (0.34) PLCG1HTTHTR2A
SCHEMBL3555614 0.87 PLCG1 (0.33) PLCG1HTTHTR2APOLBSMN1; SMN2
SCHEMBL2929065 0.87 PLCG1 (0.32) PLCG1HTTHTR2ASMN1; SMN2
SCHEMBL2926292 0.87 NPC1 (0.36) PLCG1HTTHTR2APOLBSMN1; SMN2
SCHEMBL3044789 0.84 TDP1 (0.35) PLCG1SMN1; SMN2L3MBTL1

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 8 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
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-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors WYETH 2004-04-22 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 PLCG1 3678/4885HTT 3885/4885HTR2A 2617/4885
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, MGAM, PGLS PLCG1 2300/4885HTT 4784/4885HTR2A 2943/4885
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, BPGM, B2M PLCG1 2594/4885HTT 4701/4885HTR2A 2628/4885
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors PGLS, BPGM, B2M PLCG1 2492/4885HTT 4724/4885HTR2A 3161/4885
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, PEPD, B2M PLCG1 3757/4885HTT 4578/4885HTR2A 2362/4885

“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.