SCHEMBL16958717

SCHEMBL16958717

COCC1(C(=O)OC)CC(c2cc(Cl)cc(Cl)c2)=NO1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
F10 P00742 13/20 0.40
F2 P00734 12/20 0.40
PRSS1 P07477 10/20 0.40
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL16959515 0.89 CA1 (0.39) CA1CA2F10F2PRSS1
SCHEMBL16900262 0.82 F10 (0.47) F10F2PRSS1RAB9AKDM4E
SCHEMBL22418743 0.79 CA1 (0.55) CA1CA2F10F2PRSS1
SCHEMBL16965654 0.78 CA1 (0.43) CA1CA2F10F2PRSS1
SCHEMBL12819263 0.77 F10 (0.38) CA1CA2F10F2PRSS1
SCHEMBL28028469 0.77 CA1 (0.37) CA1CA2KDM4E
SCHEMBL16959520 0.77 CA1 (0.40) CA1CA2PDE4APDE4BPDE4C
SCHEMBL28028470 0.77 CA1 (0.37) CA1CA2F10F2PRSS1
SCHEMBL16951303 0.76 F10 (0.45) CA1CA2F10F2PRSS1
SCHEMBL12818955 0.75 CA1 (0.39) CA1CA2F10F2PRSS1

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-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP 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-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX CA1 571/4885CA2 86/4885F10 3181/4885

“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.