Sugi Predict

Sugi Predict / Compounds / SCHEMBL12985129

SCHEMBL12985129

SCHEMBL12985129

C=CCCC(C)(C(=O)OCC)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.36
▸ CYP4A11 Q02928 2/20 0.36
▸ PKM P14618 3/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL15764440 1.00 CYP4F2 (0.36) CYP4F2CYP4A11PKMMEN1KMT2A
SCHEMBL17830429 0.85 PKM (0.38) CYP4F2CYP4A11PKMMEN1KMT2A
SCHEMBL12985153 0.85 PKM (0.38) CYP4F2CYP4A11PKMMEN1KMT2A
SCHEMBL12985378 0.84 PKM (0.36) CYP4F2CYP4A11PKMMEN1KMT2A
SCHEMBL15764443 0.84 PKM (0.36) CYP4F2CYP4A11PKMMEN1KMT2A
SCHEMBL13192842 0.84 PKM (0.36) CYP4F2CYP4A11PKMMEN1KMT2A
SCHEMBL17213256 0.83 PKM (0.36) CYP4F2CYP4A11PKMMEN1KMT2A
SCHEMBL17202214 0.83 PKM (0.36) CYP4F2CYP4A11PKMMEN1KMT2A
SCHEMBL2018121 0.80 CYP4F2 (0.40) CYP4F2CYP4A11PKMMEN1KMT2A
SCHEMBL2015355 0.80 CYP4F2 (0.40) CYP4F2CYP4A11PKMMEN1KMT2A

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
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-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
US-8748466-B2 Isoxazole derivatives useful as antibacterial agents PFIZER INC. (US) 2014-06-10 — — US 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
US-20140024690-A1 Isoxazole Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-01-23 — — US 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
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 (5 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-20170355684-A1 CRYSTALLINE ISOXAZOLE HYDROXAMIC ACID COMPOUNDS CUTA, MGAM, SQLE CYP4F2 2098/4885CYP4A11 1957/4885PKM 2322/4885
US-20180030004-A1 ISOXAZOLE HYDROXAMIC ACID COMPOUNDS AS LpxC INHIBITORS LCT, AGXT, LPXN CYP4F2 2877/4885CYP4A11 4213/4885PKM 2758/4885
US-10029994-B2 Isoxazole hydroxamic acid compounds as LpxC inhibitors LCT, AGXT, LPXN CYP4F2 2877/4885CYP4A11 4213/4885PKM 2758/4885
US-10071973-B2 Crystalline isoxazole hydroxamic acid compounds CUTA, MGAM, SQLE CYP4F2 2098/4885CYP4A11 1957/4885PKM 2322/4885
US-20140024690-A1 Isoxazole Derivatives Useful As Antibacterial Agents HAX1, PRXL2A, PRDX1 CYP4F2 2372/4885CYP4A11 4025/4885PKM 3306/4885

“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.