SCHEMBL2017698

SCHEMBL2017698

CC(C(=O)OCc1ccccc1)S(C)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
ELANE P08246 1/20 0.46
ACHE P22303 3/20 0.45
LMNA P02545 3/20 0.45
HCAR2 Q8TDS4 1/20 0.45
ATM Q13315 1/20 0.44
CDC25B P30305 1/20 0.44
CTSB P07858 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL22292062 0.85 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL21992833 0.83 ALDH1A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL22402324 0.80 ALDH1A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL28166454 0.80 ALDH1A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL14601752 0.80 ALDH1A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL939536 0.80 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL12640200 0.80 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL112859 0.80 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL24315543 0.79 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL201855 0.78 ALDH1A1 (0.62) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001295-B Isoxazole hydroxamic acid compounds as LpxC inhibitors 诺华股份有限公司 2021-02-02 CN disclosed
US-20210017206-A1 PYRIDINONE AND PYRIMIDINONE PHOSPHATES AND BORONATES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. 2021-01-21 US disclosed
EP-3765027-A1 PYRIDINONE AND PYRIMIDINONE PHOSPHATES AND BORONATES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc (US) 2021-01-20 EP disclosed
CN-111867600-A Pyridone and pyrimidone phosphates and borates as antibacterial agents 辉瑞大药厂 2020-10-30 CN disclosed
EP-3233843-B1 ISOXAZOLE HYDROXAMIC ACID COMPOUNDS AS LPXC INHIBITORS NOVARTIS AG (CH) 2019-10-16 EP disclosed
WO-2019178305-A1 PYRIDINONE AND PYRIMIDINONE PHOSPHATES AND BORONATES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2019-09-19 WO disclosed
US-10029994-B2 Isoxazole hydroxamic acid compounds as LpxC inhibitors NOVARTIS AG (CH) 2018-07-24 US disclosed
US-20180030004-A1 ISOXAZOLE HYDROXAMIC ACID COMPOUNDS AS LpxC INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2018-02-01 US disclosed
US-9815804-B2 Isoxazole hydroxamic acid compounds as LpxC inhibitors NOVARTIS AG (CH) 2017-11-14 US disclosed
EP-3233843-A1 ISOXAZOLE HYDROXAMIC ACID COMPOUNDS AS LPXC INHIBITORS Novartis AG (CH) 2017-10-25 EP disclosed
US-20150182513-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2015-07-02 US disclosed
US-9018384-B2 N-link hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2015-04-28 US disclosed
US-20140343031-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-11-20 US disclosed
EP-2512474-B1 N-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER (US) 2014-11-05 EP disclosed
US-8846933-B2 N-link hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-09-30 US disclosed
US-20140128363-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER (US) 2014-05-08 US disclosed
US-8664401-B2 N-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-03-04 US disclosed
EP-2512474-A1 N-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-10-24 EP disclosed
US-20120258948-A1 N-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. 2012-10-11 US disclosed
WO-2011073845-A1 N-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-06-23 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 (7 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-20150182513-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents LPXN, NAAA, AGXT ALDH1A1 3989/4885TDP1 4026/4885MAPK1 2617/4885
US-20120258948-A1 N-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LPXN, LCT, HAX1 ALDH1A1 2520/4885TDP1 2467/4885MAPK1 3357/4885
US-20140128363-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents LPXN, NAAA, AGXT ALDH1A1 3989/4885TDP1 4026/4885MAPK1 2617/4885
US-20210017206-A1 PYRIDINONE AND PYRIMIDINONE PHOSPHATES AND BORONATES USEFUL AS ANTIBACTERIAL AGENTS PNPO, PRXL2A, BPGM ALDH1A1 3255/4885TDP1 3188/4885MAPK1 1218/4885
US-20140343031-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents LPXN, NAAA, AGXT ALDH1A1 3989/4885TDP1 4026/4885MAPK1 2617/4885
US-20180030004-A1 ISOXAZOLE HYDROXAMIC ACID COMPOUNDS AS LpxC INHIBITORS LCT, AGXT, LPXN ALDH1A1 2823/4885TDP1 4285/4885MAPK1 2264/4885
US-10029994-B2 Isoxazole hydroxamic acid compounds as LpxC inhibitors LCT, AGXT, LPXN ALDH1A1 2823/4885TDP1 4285/4885MAPK1 2264/4885

“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.