SCHEMBL18360516

SCHEMBL18360516

Cn1cnc(CNC(=O)c2cc3c(cc2F)COB3O)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.41
CA2 P00918 10/20 0.41
CA9 Q16790 10/20 0.41
CA4 P22748 7/20 0.41
CA7 P43166 4/20 0.41
NTRK1 P04629 2/20 0.39
JAK2 O60674 1/20 0.39
HPGDS O60760 1/20 0.38
METTL3 Q86U44 1/20 0.36
CA12 O43570 6/20 0.36
APOL1 O14791 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
SYK P43405 1/20 0.35
SCD O00767 1/20 0.35

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
SCHEMBL18360483 0.76 CA1 (0.60) CA1CA2CA9CA4CA12
SCHEMBL18360487 0.75 CA1 (0.42) CA1CA2CA9CA4CA12
SCHEMBL25676997 0.75 CA1 (0.45) CA1CA2CA9CA4CA12
SCHEMBL18360523 0.75 HPGD (0.48) CA1CA2CA9CA4CA12
SCHEMBL18360519 0.74 CA1 (0.42) CA1CA2CA9CA4CA12
SCHEMBL18360404 0.74 CA1 (0.41) CA1CA2CA9CA4CA12
SCHEMBL18360490 0.73 PDE4A (0.47) CA1CA2CA9CA12
SCHEMBL18360527 0.73 CA1 (0.41) CA1CA2CA9CA4CA12
SCHEMBL18355014 0.73 KDM4E (0.41) CA1CA2CA9CA4CA12
SCHEMBL18360407 0.73 CA1 (0.62) CA1CA2

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 1649/4885CA9 974/4885

“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.