SCHEMBL3838335

SCHEMBL3838335

O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 14/20 0.56
▸ CA1 P00915 13/20 0.52
▸ MMP1 P03956 4/20 0.52
▸ MMP2 P08253 4/20 0.52
▸ MMP9 P14780 4/20 0.52
▸ MMP8 P22894 4/20 0.52
▸ MMP13 P45452 4/20 0.52
▸ F2 P00734 4/20 0.46
▸ PRSS1 P07477 4/20 0.46
▸ PRSS2 P07478 4/20 0.46
▸ PRSS3 P35030 4/20 0.46
▸ LMNA P02545 1/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL302264 1.00 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL585171 1.00 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL585308 1.00 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL584177 1.00 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL584864 1.00 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL7660482 1.00 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL73684 0.97 CA2 (0.52) CA2CA1MMP1MMP2MMP9
SCHEMBL6898759 0.94 CA2 (0.50) CA2CA1MMP1MMP2MMP9
SCHEMBL13684270 0.91 CA2 (0.43) CA2CA1MMP1MMP2MMP9
SCHEMBL11788241 0.91 CA2 (0.43) CA2CA1MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501361-B1 3-HETEROARYL SUBSTITUTED 5-METHYLOXYMETHYL ISOXAZOLINES USED AS HERBICIDES BASF SE (DE) 2009-09-30 — — EP disclosed
US-20050165020-A1 3-heteroaryl substituted 5-methyloxymethyl isoxazolines used as herbicides BASF AKTIENGESELLSCHAFT (DE) 2005-07-28 — — US disclosed
EP-1501361-A1 3-HETEROARYL SUBSTITUTED 5-METHYLOXYMETHYL ISOXAZOLINES USED AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2005-02-02 — — EP disclosed
WO-2003090539-A1 3-HETEROARYL SUBSTITUTED 5-METHYLOXYMETHYL ISOXAZOLINES USED AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-11-06 — — 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-20050165020-A1 3-heteroaryl substituted 5-methyloxymethyl isoxazolines used as herbicides CBR3, DDT, CYP4X1 CA2 2228/4885CA1 4081/4885MMP1 3687/4885

“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.

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