SCHEMBL17847935

SCHEMBL17847935

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.36
ABCC4 O15439 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SLC6A2 P23975 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL15422497 1.00 ACLY (0.36) ACLYABCC4MAPTALDH1A1LMNA
SCHEMBL17818301 0.82 ACLY (0.37) ACLYSLC6A2MMP12MMP13
SCHEMBL17818345 0.82 ACLY (0.37) ACLYSLC6A2MMP12MMP13
SCHEMBL28514799 0.81 ACLY (0.34) ACLYSLC6A2MMP12MMP13
SCHEMBL12984995 0.81 ACLY (0.34) ACLYSLC6A2MMP12MMP13
SCHEMBL17818330 0.81 ACLY (0.34) ACLYSLC6A2MMP12MMP13
SCHEMBL17818350 0.81 ACLY (0.34) ACLYSLC6A2MMP12MMP13
SCHEMBL17202123 0.80 ALDH1A1 (0.36) ACLYALDH1A1
SCHEMBL15764440 0.78 CYP4F2 (0.36) ALDH1A1LMNA
SCHEMBL12985129 0.78 CYP4F2 (0.36) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-3233843-A1 ISOXAZOLE HYDROXAMIC ACID COMPOUNDS AS LPXC INHIBITORS Novartis AG (CH) 2017-10-25 EP disclosed
WO-2016097995-A1 ISOXAZOLE HYDROXAMIC ACID COMPOUNDS AS LPXC INHIBITORS NOVARTIS AG (CH) 2016-06-23 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 (1 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 ACLY 223/4885ABCC4 1522/4885MAPT 1788/4885

“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.