SCHEMBL18360461

SCHEMBL18360461

Cc1cccc(Cl)c1NC(=O)c1ccc2c(c1)B(O)OC2

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.53
CA2 P00918 6/20 0.53
CA12 O43570 2/20 0.52
CA9 Q16790 2/20 0.52
CA4 P22748 1/20 0.51
LCK P06239 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46

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
SCHEMBL18354766 0.84 CA1 (0.48) CA1CA2CA12CA9
SCHEMBL18355011 0.82 CA1 (0.46) CA1CA2CA12CA9
SCHEMBL18360546 0.81 CA1 (0.56) CA1CA2CA12CA9CA4
SCHEMBL2282888 0.76 CA1 (0.70) CA1CA2CA12CA9CA4
SCHEMBL24459619 0.75 CA1 (0.68) CA1CA2CA12CA9CA4
SCHEMBL18360552 0.75 KDM4E (0.53) CA1CA2CA12CA9CA4
SCHEMBL2287068 0.74 CA1 (0.74) CA1CA2CA12CA9CA4
SCHEMBL20607833 0.74 CA1 (0.70) CA1CA2CA12CA9CA4
SCHEMBL18354262 0.74 CA1 (0.49) CA1CA2CA12CA9CA4
SCHEMBL2284394 0.74 CA1 (0.73) CA1CA2CA12CA9CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170000133-A1 BENZOXABOROLE FUNGICIDES SYNGENTA PARTICIPATIONS AG (SE) 2017-01-05 US 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-20170000133-A1 BENZOXABOROLE FUNGICIDES CYP4X1, BROX, CYP1B1 CA1 3964/4885CA2 1649/4885CA12 3115/4885

“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.