SCHEMBL22247448

SCHEMBL22247448

CC(C)(C)OC(=O)NCCOc1cc(Br)cc(OCC2CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
PDK2 Q15119 1/20 0.42
FPR3 P25089 4/20 0.39
FPR2 P25090 4/20 0.39
ACACB O00763 2/20 0.39
EPHX1 P07099 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
ACACA Q13085 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
SCHEMBL12227488 0.86 CA12 (0.56) CA12CA1CA2CA9PDK2
SCHEMBL15805865 0.85 CA12 (0.57) CA12CA1CA2CA9PDK2
SCHEMBL4569130 0.84 CA12 (0.46) CA12CA1CA2CA9PDK2
SCHEMBL15036785 0.82 CA12 (0.57) CA12CA1CA2CA9PDK2
SCHEMBL16593032 0.81 CA12 (0.51) CA12CA1CA2CA9PDK2
SCHEMBL18551073 0.81 CA12 (0.51) CA12CA1CA2CA9PDK2
SCHEMBL16169731 0.81 CA12 (0.56) CA12CA1CA2CA9PDK2
SCHEMBL2530975 0.79 CA12 (0.58) CA12CA1CA2CA9PDK2
SCHEMBL16450757 0.78 CA12 (0.64) CA12CA1CA2CA9PDK2
SCHEMBL1571346 0.77 CA12 (0.50) CA12CA1CA2CA9PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11020381-B2 Biaryloxy derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2021-06-01 US disclosed
US-20200230123-A1 BIARYLOXY DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2020-07-23 US disclosed
CN-111132961-A Bisaryloxy derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 CN 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 (2 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-11020381-B2 Biaryloxy derivatives as TTX-S blockers SCN1B, SCN3A, SCN2B CA12 4435/4885CA1 2476/4885CA2 569/4885
US-20200230123-A1 BIARYLOXY DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN3A, SCN2B CA12 4435/4885CA1 2476/4885CA2 569/4885

“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.