SCHEMBL16627725

SCHEMBL16627725

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.46
CTSS P25774 6/20 0.46
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CAPN1 P07384 1/20 0.43
CXCR3 P49682 1/20 0.40
SIRT5 Q9NXA8 1/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL16521928 0.88 CA1 (0.48) CTSKCTSSCA1CA2CAPN1
SCHEMBL19820104 0.84 CTSS (0.43) CTSKCTSSCA1CA2CAPN1
SCHEMBL19820105 0.84 CTSS (0.43) CTSKCTSSCA1CA2CAPN1
SCHEMBL17898606 0.83 MEN1 (0.49) CTSKCTSSCA1CA2CAPN1
SCHEMBL17771364 0.83 MEN1 (0.49) CTSKCTSSCA1CA2CAPN1
SCHEMBL17898605 0.83 CA1 (0.44) CTSKCTSSCA1CA2CAPN1
SCHEMBL19487376 0.82 TDP1 (0.39) CTSKCA1CA2MEN1GAA
SCHEMBL17884339 0.81 CTSS (0.50) CTSKCTSSCA1CA2CAPN1
SCHEMBL17884288 0.80 CTSK (0.52) CTSKCTSSCA1CA2CAPN1
SCHEMBL22508709 0.79 CTSS (0.49) CTSKCTSSCA2CAPN1CTSL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260398-B2 Dendrimer like amino amides possessing sodium channel blocker activity for the treatment of dry eye and other mucosal diseases PARION SCIENCES, INC. (US) 2016-02-16 US disclosed
US-20150099764-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES PARION SCIENCES, INC. (US) 2015-04-09 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-20150099764-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES SCNN1B, SCNN1A, SCNN1G CTSK 2422/4885CTSS 2255/4885CA1 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.