SCHEMBL20512136

SCHEMBL20512136

Cc1cccc(C)c1C(=O)OCCCC(C)(C)COS(=O)(=O)Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ELANE P08246 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
TSHR P16473 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PPARA Q07869 1/20 0.32
TP53 P04637 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL20512195 0.92 CA1 (0.36) CYP2D6CYP19A1CYP2C9CYP2C19CA12
SCHEMBL20512219 0.87 CA12 (0.37) CYP2D6CYP19A1CYP2C9CYP2C19CA12
SCHEMBL20512148 0.87 GAA (0.39) CA12CA1CA2CA7CA9
SCHEMBL20512193 0.85 CA12 (0.36) CYP2D6CYP19A1CYP2C9CYP2C19CA12
SCHEMBL20512188 0.84 TDP1 (0.53) CYP2D6TDP1TSHRMAPK1ALDH1A1
SCHEMBL20512161 0.82 CA12 (0.37) CYP2D6CA12CA1CA2CA7
SCHEMBL20512015 0.80 L3MBTL1 (0.43) CYP2D6CYP19A1CYP2C9CYP2C19TDP1
SCHEMBL20512139 0.80 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL20512100 0.79 MEN1 (0.41) CYP2C9CA12CA1CA2CA7
SCHEMBL20512184 0.75 LMNA (0.49) CYP2D6CA12CA9TDP1TSHR

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 CYP2D6 34/4885CYP19A1 1102/4885CYP2C9 94/4885
US-20190022102-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF MGAM, LCT, CMBL CYP2D6 325/4885CYP19A1 1835/4885CYP2C9 137/4885
US-20190100516-A1 AZTREONAM DERIVATIVES AND USES THEREOF MGAM, ABCG2, SI CYP2D6 34/4885CYP19A1 1102/4885CYP2C9 94/4885
US-20230201218-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF GAA, LCT, MGAM CYP2D6 343/4885CYP19A1 1534/4885CYP2C9 159/4885
US-10085999-B1 Beta-lactamase inhibitors and uses thereof GAA, LCT, MGAM CYP2D6 343/4885CYP19A1 1534/4885CYP2C9 159/4885
US-20240415847-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF GAA, LCT, MGAM CYP2D6 343/4885CYP19A1 1534/4885CYP2C9 159/4885

“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.