SCHEMBL16958844

SCHEMBL16958844

CC1(C(=O)O)CC(c2cc(Cl)ccc2Cl)=NO1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.48
▸ CA2 P00918 4/20 0.48
▸ ITGB1 P05556 8/20 0.42
▸ ITGA4 P13612 8/20 0.42
▸ F10 P00742 1/20 0.40
▸ CRBN Q96SW2 1/20 0.39
▸ ORAI1 Q96D31 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ AGPAT2 O15120 1/20 0.37

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
SCHEMBL16958849 0.82 CRBN (0.40) CA1CA2ITGB1ITGA4F10
SCHEMBL16961376 0.80 CA1 (0.52) CA1CA2ITGB1ITGA4F10
SCHEMBL21268192 0.78 CA1 (0.75) CA1CA2ITGB1ITGA4F10
SCHEMBL12818923 0.77 CA1 (0.55) CA1CA2ITGB1ITGA4F10
SCHEMBL28570370 0.77 CA1 (0.44) CA1CA2ITGB1ITGA4F10
SCHEMBL30122895 0.77 CA1 (0.44) CA1CA2ITGB1ITGA4F10
SCHEMBL28549471 0.77 CA1 (0.44) CA1CA2ITGB1ITGA4F10
SCHEMBL21635545 0.77 CA1 (0.44) CA1CA2ITGB1ITGA4F10
SCHEMBL30122767 0.77 CA1 (0.44) CA1CA2ITGB1ITGA4F10
SCHEMBL16111128 0.76 CA1 (0.51) CA1CA2ITGB1ITGA4

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 86/4885ITGB1 4409/4885

“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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