SCHEMBL18685337

SCHEMBL18685337

CCS(=O)(=O)c1cccc([C@@H](C)N)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.48
GAA P10253 1/20 0.40
CA2 P00918 4/20 0.38
BRD4 O60885 1/20 0.38
HSD11B1 P28845 1/20 0.38
GBA1 P04062 4/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CA1 P00915 1/20 0.36

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
SCHEMBL10179501 0.85 PSIP1 (0.52) PSIP1GAACA2BRD4HSD11B1
SCHEMBL10179856 0.84 HDAC4 (0.53) PSIP1GAACA2BRD4HSD11B1
SCHEMBL16642002 0.84 PSIP1 (0.50) PSIP1GAACA2BRD4HSD11B1
SCHEMBL4631093 0.81 CA2 (0.59) CA2CA1
SCHEMBL3465330 0.81 ALDH1A1 (0.45) GAACA2CA1
SCHEMBL8249478 0.81 CA2 (0.59) CA2CA1
SCHEMBL30117178 0.81 ALDH1A1 (0.45) GAACA2CA1
SCHEMBL17061124 0.81 ALDH1A1 (0.45) GAACA2CA1
SCHEMBL30358121 0.81 ALDH1A1 (0.45) GAACA2CA1
SCHEMBL26101860 0.81 ALDH1A1 (0.45) GAACA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 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-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 PSIP1 3347/4885GAA 4016/4885CA2 1414/4885

“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.