SCHEMBL20512191

SCHEMBL20512191

Cc1ccccc1C(=O)OCCC(C)(C)CO

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.49
ADRB1 P08588 2/20 0.49
ADRB3 P13945 2/20 0.49
ALDH1A1 P00352 3/20 0.47
TSHR P16473 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
TP53 P04637 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL20512108 0.84 CA12 (0.42) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL17797782 0.82 TSHR (0.66) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL2655059 0.80 ALDH1A1 (0.56) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL20512015 0.80 L3MBTL1 (0.43) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL1164342 0.80 LMNA (0.59) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL14984028 0.79 TSHR (0.68) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL29860709 0.79 TSHR (0.65) ADRB2ADRB1ADRB3ALDH1A1TSHR
Alcohol SCHEMBL27463083 0.78 ALDH1A1 (0.73) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL28237720 0.78 TSHR (0.59) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL6909225 0.78 ALDH1A1 (0.62) ALDH1A1TSHRL3MBTL1TDP1TP53

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240415847-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF ARIXA PHARMACEUTICALS, INC. (US) 2024-12-19 US disclosed
EP-3860999-B9 DERIVATIVES OF RELEBACTAM AND USES THEREOF ARIXA PHARMACEUTICALS INC (US) 2024-08-14 EP disclosed
EP-3860999-B1 DERIVATIVES OF RELEBACTAM AND USES THEREOF ARIXA PHARMACEUTICALS INC (US) 2024-06-05 EP disclosed
EP-3625233-B9 3-(((((2S,5R)-2-CARBAMOYL-7-OXO-1,6-DIAZABICYCLO[3.2.1]OCTAN-6-YL)OXY)SULFONYL)OXY)-2,2-DIMETHYLPROPANOATE DERIVATIVES AND RELATED COMPOUNDS AS PERORALLY ADMINISTERED PROFRUGS OF BETA-LACTAMASE INHIBITORS FOR TREATING BACTERIAL INFECTIONS ARIXA PHARMACEUTICALS INC (US) 2023-10-25 EP disclosed
EP-3625233-B9 3-(((((2S,5R)-2-CARBAMOYL-7-OXO-1,6-DIAZABICYCLO[3.2.1]OCTAN-6-YL)OXY)SULFONYL)OXY)-2,2-DIMETHYLPROPANOATE DERIVATIVES AND RELATED COMPOUNDS AS PERORALLY ADMINISTERED PROFRUGS OF BETA-LACTAMASE INHIBITORS FOR TREATING BACTERIAL INFECTIONS ARIXA PHARMACEUTICALS INC (US) 2023-10-25 EP disclosed
EP-3625233-B1 3-(((((2S,5R)-2-CARBAMOYL-7-OXO-1,6-DIAZABICYCLO[3.2.1]OCTAN-6-YL)OXY)SULFONYL)OXY)-2,2-DIMETHYLPROPANOATE DERIVATIVES AND RELATED COMPOUNDS AS PERORALLY ADMINISTERED PROFRUGS OF BETA-LACTAMASE INHIBITORS FOR TREATING BACTERIAL INFECTIONS ARIXA PHARMACEUTICALS INC (US) 2023-07-12 EP disclosed
EP-3625233-B1 3-(((((2S,5R)-2-CARBAMOYL-7-OXO-1,6-DIAZABICYCLO[3.2.1]OCTAN-6-YL)OXY)SULFONYL)OXY)-2,2-DIMETHYLPROPANOATE DERIVATIVES AND RELATED COMPOUNDS AS PERORALLY ADMINISTERED PROFRUGS OF BETA-LACTAMASE INHIBITORS FOR TREATING BACTERIAL INFECTIONS ARIXA PHARMACEUTICALS INC (US) 2023-07-12 EP disclosed
US-20230201218-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF ARIXA PHARMACEUTICALS, INC. (US) 2023-06-29 US disclosed
US-20230201218-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF ARIXA PHARMACEUTICALS, INC. (US) 2023-06-29 US disclosed
US-20230201218-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF ARIXA PHARMACEUTICALS, INC. (US) 2023-06-29 US disclosed
US-10280161-B2 Aztreonam derivatives and uses thereof ARIXA PHARMACEUTICALS, INC. (US) 2019-05-07 US disclosed
US-10280161-B2 Aztreonam derivatives and uses thereof ARIXA PHARMACEUTICALS, INC. (US) 2019-05-07 US disclosed
WO-2019070595-A1 AZTREONAM DERIVATIVES AND USES THEREOF ARIXA PHARMACEUTICALS, INC. (US) 2019-04-11 WO disclosed
WO-2019070595-A1 AZTREONAM DERIVATIVES AND USES THEREOF ARIXA PHARMACEUTICALS, INC. (US) 2019-04-11 WO disclosed
US-20190100516-A1 AZTREONAM DERIVATIVES AND USES THEREOF ARIXA PHARMACEUTICALS, INC. 2019-04-04 US disclosed
US-20190100516-A1 AZTREONAM DERIVATIVES AND USES THEREOF ARIXA PHARMACEUTICALS, INC. 2019-04-04 US disclosed
US-20190022102-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF ARIXA PHARMACEUTICALS, INC. 2019-01-24 US disclosed
US-20190022102-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF ARIXA PHARMACEUTICALS, INC. 2019-01-24 US disclosed
WO-2018208557-A1 3-(((((2S,5R)-2-CARBAMOYL-7-OXO-1,6-DIAZABICYCLO[3.2.1]OCTAN-6-YL)OXY)SULFONYL)OXY)-2,2-DIMETHYLPROP NOATE DERIVATIVES AND RELATED COMPOUNDS AS PERORALLY ADMINISTERED PROFRUGS OF BETA-LACTAMASE INHIBITORS FOR TREATING BACTERIAL INFECTIONS ARIXA PHARMACEUTICALS, INC. (US) 2018-11-15 WO disclosed
US-10085999-B1 Beta-lactamase inhibitors and uses thereof ARIXA PHARMACEUTICALS, INC. (US) 2018-10-02 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 (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-10280161-B2 Aztreonam derivatives and uses thereof MGAM, ABCG2, SI ADRB2 2487/4885ADRB1 1833/4885ADRB3 1711/4885
US-20190022102-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF MGAM, LCT, CMBL ADRB2 1616/4885ADRB1 1104/4885ADRB3 2026/4885
US-20190100516-A1 AZTREONAM DERIVATIVES AND USES THEREOF MGAM, ABCG2, SI ADRB2 2487/4885ADRB1 1833/4885ADRB3 1711/4885
US-20230201218-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF GAA, LCT, MGAM ADRB2 1452/4885ADRB1 1056/4885ADRB3 1875/4885
US-10085999-B1 Beta-lactamase inhibitors and uses thereof GAA, LCT, MGAM ADRB2 1452/4885ADRB1 1056/4885ADRB3 1875/4885
US-20240415847-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF GAA, LCT, MGAM ADRB2 1452/4885ADRB1 1056/4885ADRB3 1875/4885

“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.