SCHEMBL2925664

SCHEMBL2925664

O=C(OCc1ccc([N+](=O)[O-])cc1)C1=CSC2C(Br)C(=O)N12

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
PLCG1 P19174 1/20 0.44
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL679070 1.00 RAB9A (0.44) RAB9APLCG1POLBSMN1; SMN2HTT
SCHEMBL4967038 1.00 RAB9A (0.44) RAB9APLCG1POLBSMN1; SMN2HTT
SCHEMBL5907435 1.00 RAB9A (0.44) RAB9APLCG1POLBSMN1; SMN2HTT
SCHEMBL10816473 0.83 ELANE (0.45) RAB9APLCG1POLBSMN1; SMN2HTT
SCHEMBL7172605 0.82 MMP1 (0.43)
SCHEMBL2923216 0.82 MMP1 (0.43)
SCHEMBL8807239 0.82 MMP1 (0.43)
SCHEMBL8888422 0.82 MMP1 (0.43)
SCHEMBL8807243 0.82 MMP1 (0.43)
SCHEMBL686701 0.82 ELANE (0.33)

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 27 patents — showing the first 20. 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-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-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-1885358-A2 TRICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D ß-LACTAMASES INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-02-13 EP disclosed
EP-1885357-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D BETA-LACTAMASES INHIBITORS Wyeth (US) 2008-02-13 EP disclosed
WO-2007030166-A2 TRICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D β-LACTAMASES INHIBITORS WYETH (US) 2007-03-15 WO disclosed
EP-1499620-A1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES Wyeth (US) 2005-01-26 EP disclosed
EP-1499621-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASES INHIBITORS Wyeth (US) 2005-01-26 EP disclosed
EP-1499622-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE 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
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
WO-2003093279-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS ß-LACTAMASES INHIBITORS WYETH (US) 2003-11-13 WO disclosed
WO-2003093280-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS ΒΕΤΑ-LACTAMASE 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 (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 RAB9A 1712/4885PLCG1 3678/4885POLB 338/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP RAB9A 2490/4885PLCG1 2494/4885POLB 481/4885
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 RAB9A 1712/4885PLCG1 3678/4885POLB 338/4885
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors PGLS, BPGM, B2M RAB9A 1874/4885PLCG1 2492/4885POLB 453/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP RAB9A 2292/4885PLCG1 2469/4885POLB 423/4885
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, PEPD, B2M RAB9A 1648/4885PLCG1 3757/4885POLB 329/4885

“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.