SCHEMBL7184573

SCHEMBL7184573

CC(=O)OCc1cn2c(n1)S(=O)(=O)CC2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.35
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPC1 O15118 1/20 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
SCHEMBL7186322 0.70 KMT2A (0.45) ALDH1A1NPC1
SCHEMBL8845829 0.67 KMT2A (0.42) ALDH1A1NPC1
SCHEMBL14225456 0.66 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP2C19NPC1
SCHEMBL14022377 0.63 NPC1 (0.41) ALDH1A1CYP1A2CYP2C19NPC1
SCHEMBL9367623 0.60 AGTR1 (0.38) ALDH1A1CYP1A2CYP2C19
SCHEMBL31434856 0.60 NPC1 (0.73) ALDH1A1CYP1A2CYP2C19NPC1
SCHEMBL12419636 0.60 TSHR (0.68) ALDH1A1CYP1A2CYP2C19NPC1
SCHEMBL19736713 0.59 NPC1 (0.48) ALDH1A1NPC1
SCHEMBL27598109 0.59 KDM4E (0.58) ALDH1A1CYP2C19NPC1
SCHEMBL7612576 0.59 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C19NPC1

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
EP-0758240-B1 PHARMACEUTICAL FORMULATIONS CONTAINING A BETA-LACTAMASE INHIBITING PENEM IN COMBINATION WITH A BETA-LACTAM ANTIBIOTIC AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2003-10-29 EP disclosed
US-6600035-B1 Multistage reaction of forming penicillin antibiotics SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-29 US disclosed
US-6472383-B1 Pharmaceutical formulations SMITHKLINE BEECHAM P.L.C. (GB) 2002-10-29 US disclosed
EP-0666862-B1 6-(SUBSTITUTED METHYLENE) PENEMS AND INTERMEDIATES SMITHKLINE BEECHAM PLC (GB) 2000-04-19 EP disclosed
US-6037469-A BETA LACTAMASE INHIBITOR AND ANTIBACTERIAL; FOR TREATING BACTERIAL INFECTIONS IN HUMANS AND ANIMALS SMITHKLINE BEECHAM PLC (GB) 2000-03-14 US disclosed
US-5939066-A TREATING OR PREVENTING A BACTERIAL INFECTION BY ADMINISTERING A LACTAMASE INHIBITORY EFFECTIVE AMOUNT OF A PENEM AND A LACTAM ANTIBIOTIC SMITHKLINE BEECHAM P.L.C. 1999-08-17 US disclosed
US-5911985-A IN COMBINATION WITH CARRIERS AND A LACTAM ANTIBIOTIC SMITHKLINE BEECHAM P.L.C. (GB) 1999-06-15 US disclosed
US-5776455-A PENICILLIN BACTERICIDES SMITHKLINE BEECHAM P.L.C. (GB) 1998-07-07 US disclosed
EP-0758240-A1 PHARMACEUTICAL FORMULATIONS CONTAINING A BETA-LACTAMASE INHIBITING PENEM IN COMBINATION WITH A BETA-LACTAM ANTIBIOTIC AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 1997-02-19 EP disclosed
US-5602250-A ANTIBIOTICS, BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 1997-02-11 US disclosed
WO-1995028935-A1 PHARMACEUTICAL FORMULATIONS CONTAINING A BETA-LACTAMASE INHIBITING PENEM IN COMBINATION WITH A BETA-LACTAM ANTIBIOTIC AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 1995-11-02 WO disclosed
WO-1994010178-A1 6-(SUBSTITUTED METHYLENE) PENEMS AND INTERMEDIATES SMITHKLINE BEECHAM P L C (GB) 1994-05-11 WO disclosed