SCHEMBL12985378

SCHEMBL12985378

CCOC(=O)C(C)(CC/C=N\O)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.36
CYP4F2 P78329 3/20 0.34
CYP4A11 Q02928 3/20 0.34
THRB P10828 1/20 0.34
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
MMP8 P22894 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL12985380 1.00 PKM (0.36) PKMCYP4F2CYP4A11THRBHTT
SCHEMBL13192842 1.00 PKM (0.36) PKMCYP4F2CYP4A11THRBHTT
SCHEMBL15764443 1.00 PKM (0.36) PKMCYP4F2CYP4A11THRBHTT
Bicarbonate SCHEMBL12988519 0.93 PKM (0.32) PKMCYP4F2CYP4A11THRBHTT
SCHEMBL15764440 0.84 CYP4F2 (0.36) PKMCYP4F2CYP4A11THRBHTT
SCHEMBL12985129 0.84 CYP4F2 (0.36) PKMCYP4F2CYP4A11THRBHTT
SCHEMBL17830429 0.83 PKM (0.38) PKMCYP4F2CYP4A11THRBHTT
SCHEMBL12985153 0.83 PKM (0.38) PKMCYP4F2CYP4A11THRBHTT
SCHEMBL22446274 0.79 PKM (0.39) PKMCYP4F2CYP4A11THRBHTT
SCHEMBL18978425 0.79 PKM (0.39) PKMCYP4F2CYP4A11THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3468957-B1 CRYSTALLINE FORM OF (R)-4-(5-(CYCLOPROPYLETHYNYL)ISOXAZOL-3-YL)-N-HYDROXY-2-METHYL-2-(METHYLSULFONYL)BUTANAMIDE AS AN ANTIBACTERIAL AGENT NOVARTIS AG (CH) 2020-08-26 EP disclosed
EP-3233843-B1 ISOXAZOLE HYDROXAMIC ACID COMPOUNDS AS LPXC INHIBITORS NOVARTIS AG (CH) 2019-10-16 EP disclosed
EP-3468957-A1 CRYSTALLINE FORM OF (R)-4-(5-(CYCLOPROPYLETHYNYL)ISOXAZOL-3-YL)-N-HYDROXY-2-METHYL-2-(METHYLSULFONYL)BUTANAMIDE AS AN ANTIBACTERIAL AGENT NOVARTIS AG (CH) 2019-04-17 EP disclosed
US-10071973-B2 Crystalline isoxazole hydroxamic acid compounds NOVARTIS AG (CH) 2018-09-11 US 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
WO-2017216705-A1 CRYSTALLINE FORM OF (R)-4-(5-(CYCLOPROPYLETHYNYL)ISOXAZOL-3-YL)-N-HYDROXY-2-METHYL-2-(METHYLSULFONYL)BUTANAMIDE AS AN ANTIBACTERIAL AGENT NOVARTIS AG (CH) 2017-12-21 WO disclosed
US-20170355684-A1 CRYSTALLINE ISOXAZOLE HYDROXAMIC ACID COMPOUNDS NOVARTIS PHARMA AG (CH) 2017-12-14 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-20170088525-A1 ISOXAZOLE HYDROXAMIC ACID COMPOUNDS AS LpxC INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2017-03-30 US disclosed
US-9549916-B2 Isoxazole hydroxamic acid compounds as LpxC inhibitors NOVARTIS AG (CH) 2017-01-24 US disclosed
WO-2016097995-A1 ISOXAZOLE HYDROXAMIC ACID COMPOUNDS AS LPXC INHIBITORS NOVARTIS AG (CH) 2016-06-23 WO disclosed
US-20160166548-A1 ISOXAZOLE HYDROXAMIC ACID COMPOUNDS AS LpxC INHIBITORS NOVARTIS AG (CH) 2016-06-16 US disclosed
EP-2694488-B1 ISOXAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER (US) 2014-11-12 EP disclosed
US-8748466-B2 Isoxazole derivatives useful as antibacterial agents PFIZER INC. (US) 2014-06-10 US disclosed
EP-2694488-A1 ISOXAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc (US) 2014-02-12 EP disclosed
US-20140024690-A1 Isoxazole Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-01-23 US disclosed
WO-2012137094-A1 ISOXAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2012-10-11 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-20170088525-A1 ISOXAZOLE HYDROXAMIC ACID COMPOUNDS AS LpxC INHIBITORS LCT, AGXT, LPXN PKM 2758/4885CYP4F2 2877/4885CYP4A11 4213/4885
US-20160166548-A1 ISOXAZOLE HYDROXAMIC ACID COMPOUNDS AS LpxC INHIBITORS LCT, AGXT, LPXN PKM 2758/4885CYP4F2 2877/4885CYP4A11 4213/4885
US-20170355684-A1 CRYSTALLINE ISOXAZOLE HYDROXAMIC ACID COMPOUNDS CUTA, MGAM, SQLE PKM 2322/4885CYP4F2 2098/4885CYP4A11 1957/4885
US-20180030004-A1 ISOXAZOLE HYDROXAMIC ACID COMPOUNDS AS LpxC INHIBITORS LCT, AGXT, LPXN PKM 2758/4885CYP4F2 2877/4885CYP4A11 4213/4885
US-10029994-B2 Isoxazole hydroxamic acid compounds as LpxC inhibitors LCT, AGXT, LPXN PKM 2758/4885CYP4F2 2877/4885CYP4A11 4213/4885
US-10071973-B2 Crystalline isoxazole hydroxamic acid compounds CUTA, MGAM, SQLE PKM 2322/4885CYP4F2 2098/4885CYP4A11 1957/4885
US-20140024690-A1 Isoxazole Derivatives Useful As Antibacterial Agents HAX1, PRXL2A, PRDX1 PKM 3306/4885CYP4F2 2372/4885CYP4A11 4025/4885

“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.