SCHEMBL18360548

SCHEMBL18360548

CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3c(cc2F)COB3O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
CA12 O43570 5/20 0.46
CA9 Q16790 5/20 0.46
RAB9A P51151 4/20 0.45
KMT2A Q03164 1/20 0.45
TRPV4 Q9HBA0 1/20 0.44
NPC1 O15118 3/20 0.43
PRNP P04156 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.43
CLK1 P49759 1/20 0.43
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL18360470 0.88 CYP2C19 (0.60) CYP2C19CYP3A4CYP2C9CA1CA2
SCHEMBL18360462 0.82 CA1 (0.60) CA1CA2CA12CA9RAB9A
SCHEMBL18354525 0.81 CA1 (0.49) CA1CA2CA12CA9LMNA
SCHEMBL18355013 0.78 MEN1 (0.54) KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL18360493 0.77 CA1 (0.47) CA1CA2CA12CA9CA4
SCHEMBL18360489 0.76 CA1 (0.51) CA1CA2CA12CA9RAB9A
SCHEMBL18360476 0.73 LMNA (0.46) CA1CA2CA12CA9KMT2A
SCHEMBL18354248 0.73 PPARG (0.46) CA1CA2CA12CA9RAB9A
SCHEMBL18354540 0.73 NPC1 (0.63) CA1CA12CA9RAB9AKMT2A
SCHEMBL1818687 0.72 BDKRB1 (0.48) CA1CA2CA12CA9ALDH1A1

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 CYP2C19 11/4885CYP3A4 15/4885CYP2C9 10/4885

“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.