SCHEMBL20094989

SCHEMBL20094989

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)CCCCCC(C)(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
CTSK P43235 3/20 0.41
CTSS P25774 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ATM Q13315 1/20 0.40
SIRT5 Q9NXA8 1/20 0.39
CAPN1 P07384 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
HDAC4 P56524 1/20 0.38

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
SCHEMBL20094898 0.89 CA1 (0.42) MEN1KMT2AGAATDP1HDAC1
SCHEMBL20122274 0.88 CTSS (0.51) MEN1KMT2AGAATDP1HDAC1
SCHEMBL20094899 0.82 CTSS (0.46) MEN1KMT2AGAATDP1HDAC1
SCHEMBL30705756 0.79 MEN1 (0.55) MEN1KMT2AGAATDP1MAOA
SCHEMBL21702752 0.78 MEN1 (0.63) MEN1KMT2AGAATDP1HDAC1
SCHEMBL3445777 0.77 MEN1 (0.65) MEN1KMT2AGAATDP1CTSK
SCHEMBL10241524 0.77 MEN1 (0.65) MEN1KMT2AGAATDP1CTSK
SCHEMBL391537 0.77 MEN1 (0.65) MEN1KMT2AGAATDP1CTSK
SCHEMBL19820014 0.77 CTSS (0.54) MEN1KMT2AGAATDP1HDAC1
SCHEMBL20122339 0.77 MEN1 (0.55) MEN1KMT2AGAATDP1HDAC1

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 MEN1 1650/4885KMT2A 1362/4885GAA 1717/4885

“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.