SCHEMBL20094895

SCHEMBL20094895

CC[C@H](N)C(=O)Nc1ccc(CCCNC(=O)[C@H](CCCCNC(=N)N)NCC(C)(O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 13/20 0.40
▸ SPHK2 Q9NRA0 1/20 0.39
▸ S1PR1 P21453 3/20 0.37
▸ S1PR3 Q99500 3/20 0.37
▸ S1PR4 O95977 2/20 0.37
▸ S1PR5 Q9H228 2/20 0.37
▸ S1PR2 O95136 1/20 0.37
▸ REN P00797 1/20 0.34
▸ NPY4R P50391 3/20 0.33
▸ NPY1R P25929 2/20 0.33
▸ NPY2R P49146 2/20 0.33
▸ NPY5R Q15761 2/20 0.33

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
SCHEMBL16627709 0.88 SPHK1 (0.43) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL16572314 0.88 SPHK1 (0.43) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL19820039 0.83 SPHK1 (0.45) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL16572313 0.79 SPHK1 (0.55) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL16627708 0.74 SPHK1 (0.52) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL16627666 0.74 SPHK1 (0.52) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL19820059 0.73 SPHK1 (0.50) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL16572292 0.73 SPHK1 (0.53) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL16572312 0.73 SPHK1 (0.53) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL18412680 0.66 SPHK1 (0.54) SPHK1SPHK2S1PR1S1PR3S1PR4

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 SPHK1 339/4885SPHK2 337/4885S1PR1 426/4885

“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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