SCHEMBL20094853

SCHEMBL20094853

COCCN(CCCNC(=O)[C@H](CCCCN)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)C(O)(CCCCN)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.31
▸ SIRT6 Q8N6T7 1/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ NMT2 O60551 1/20 0.30
▸ NMT1 P30419 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
SCHEMBL20094872 0.92 — —
SCHEMBL16572076 0.89 SIRT6 (0.37) TLR2SIRT6SIRT1NMT2NMT1
SCHEMBL16572335 0.80 NPY1R (0.31) —
SCHEMBL19366157 0.70 NPY4R (0.33) TLR2SIRT6SIRT1
SCHEMBL16572077 0.67 GNAI3 (0.57) TLR2SIRT6SIRT1
SCHEMBL16572290 0.67 GNAI3 (0.59) TLR2SIRT6SIRT1
SCHEMBL16572280 0.67 GNAI3 (0.59) TLR2SIRT6SIRT1
SCHEMBL11740613 0.66 FOLH1 (0.44) —
SCHEMBL4752594 0.66 FOLH1 (0.44) —
SCHEMBL16572301 0.63 GNAI3 (0.51) TLR2SIRT6SIRT1

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 TLR2 262/4885SIRT6 1201/4885SIRT1 818/4885

“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.

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