SCHEMBL20094899

SCHEMBL20094899

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.46
CTSK P43235 4/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CAPN1 P07384 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC8 Q9BY41 1/20 0.42
CXCR3 P49682 2/20 0.42
HDAC4 P56524 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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 0.84 CA1 (0.42) CTSSCTSKCA1CA2CAPN1
SCHEMBL19820014 0.84 CTSS (0.54) CTSSCTSKCA1CA2CAPN1
SCHEMBL12179560 0.83 TDP1 (0.58) CTSSCTSKCA1CA2CAPN1
SCHEMBL22750240 0.82 CTSS (0.53) CTSSCTSKCA1CA2CAPN1
SCHEMBL22750241 0.82 CTSS (0.53) CTSSCTSKCA1CA2CAPN1
SCHEMBL20094989 0.82 MEN1 (0.45) CTSSCTSKCA1CA2CAPN1
SCHEMBL12179561 0.81 CTSS (0.55) CTSSCTSKCA1CA2CAPN1
SCHEMBL16909017 0.80 SIRT5 (0.57) CTSSCTSKCA1CA2CAPN1
SCHEMBL16909018 0.80 SIRT5 (0.57) CTSSCTSKCA1CA2CAPN1
SCHEMBL5840063 0.80 SIRT5 (0.57) CTSSCTSKCA1CA2CAPN1

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 CTSS 2255/4885CTSK 2422/4885CA1 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.