SCHEMBL20094902

SCHEMBL20094902

CC(C)(C)OC(=O)/N=C(\NCCCC[C@@H](N)C(=O)NCCCN(CCCNC(=O)[C@@H](CCCCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CCOc1ccc(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)c2c1CCCC2)NC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 3/20 0.34
PARP1 P09874 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL20094903 0.97 SCNN1A (0.36) SCNN1APARP1CA1CA2ACHE
SCHEMBL19820077 0.96 SCNN1A (0.36) SCNN1A
SCHEMBL19820056 0.91 SCNN1A (0.37) SCNN1ACA1CA2
SCHEMBL20094990 0.89 SCNN1A (0.41) SCNN1ACA1CA2
SCHEMBL19820054 0.88 SCNN1A (0.39) SCNN1ACA1CA2
SCHEMBL19820015 0.87 SCNN1A (0.37) SCNN1ACA1CA2
SCHEMBL10115947 0.87 SCNN1A (0.42) SCNN1A
SCHEMBL19820041 0.86 SCNN1A (0.43) SCNN1ACA1CA2
SCHEMBL19820044 0.86 SCNN1A (0.43) SCNN1ACA1CA2
SCHEMBL19820088 0.86 SCNN1A (0.43) SCNN1ACA1CA2

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-20180111907-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES PARION SCIENCES, INC. 2018-04-26 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-20180111907-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES SCNN1B, SCNN1A, SCNN1G SCNN1A 2/4885PARP1 3666/4885CA1 1404/4885

“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.