SCHEMBL4903146

SCHEMBL4903146

CC(C)Cc1oc(=O)oc1C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
KMT2A Q03164 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TSHR P16473 3/20 0.45
AKR1B1 P15121 1/20 0.43
ALDH1A1 P00352 5/20 0.43
ATM Q13315 1/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 4/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
MAPK1 P28482 2/20 0.40

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
SCHEMBL25099 0.79 TDP1 (0.51) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL6316998 0.76 TDP1 (0.47) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL20154268 0.72 TDP1 (0.58) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL28746418 0.71 ALDH1A1 (0.59) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL112859 0.69 ALDH1A1 (0.64) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL18912895 0.68 TSHR (0.77) TDP1KMT2ASLC6A2SLC6A3TSHR
Ammonia Solution, Strong SCHEMBL27788705 0.68 ALDH1A1 (0.62) TDP1KMT2ASLC6A2SLC6A3TSHR
Hydrochloric Acid SCHEMBL29090140 0.68 ALDH1A1 (0.62) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL25448171 0.67 ALDH1A1 (0.36) ALDH1A1POLB
SCHEMBL3413098 0.67 ALDH1A1 (0.77) TDP1KMT2ASLC6A2SLC6A3TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125408-A1 (5-propyl-2-oxo-1,3-dioxol-4-yl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[[(1R,3S)-tetrahydro-1-oxido-3-thienyl]thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate for teating bacterial infections such as bronchitis, sinusitis, otitis media, brain abscess, pneumonia etc; oral bioavailability PFIZER INC 2008-05-29 US disclosed
US-20080125408-A1 (5-propyl-2-oxo-1,3-dioxol-4-yl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[[(1R,3S)-tetrahydro-1-oxido-3-thienyl]thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate for teating bacterial infections such as bronchitis, sinusitis, otitis media, brain abscess, pneumonia etc; oral bioavailability PFIZER INC 2008-05-29 US disclosed
WO-2008059367-A1 PENEM PRODRUGS PFIZER PRODUCTS INC. (US) 2008-05-22 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 (1 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-20080125408-A1 (5-propyl-2-oxo-1,3-dioxol-4-yl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[[(1R,3S)-tetrahydro-1-oxido-3-thienyl]thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate for teating bacterial infections such as bronchitis, sinusitis, otitis media, brain abscess, pneumonia etc; oral bioavailability SULT1E1, OXER1, MALT1 TDP1 1128/4885KMT2A 1362/4885SLC6A2 4077/4885

“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.