SCHEMBL17449484

SCHEMBL17449484

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

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.68
CTSK P43235 7/20 0.68
CTSL P07711 2/20 0.68
CTSB P07858 1/20 0.68
CAPN1 P07384 1/20 0.67
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AAK1 Q2M2I8 1/20 0.48
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
MAP1LC3B Q9GZQ8 1/20 0.43
MAP1LC3A Q9H492 1/20 0.43
REN P00797 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL28969921 1.00 CTSS (0.68) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL16329168 0.90 CAPN1 (0.70) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL7302264 0.88 CTSS (0.68) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL18941377 0.88 CTSS (0.68) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL8693200 0.87 CTSS (0.67) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL9889092 0.87 CTSK (0.67) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL14104498 0.87 CTSK (0.67) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL12143788 0.86 CTSS (0.52) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL5967594 0.86 CTSS (0.52) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL20643944 0.86 CTSS (0.62) CTSSCTSKCTSLCTSBCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL EPIRUS BIOPHARMACEUTICALS, INC. (US) 2017-04-20 US disclosed
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL EPIRUS BIOPHARMACEUTICALS, INC. (US) 2017-04-20 US disclosed
US-20160016939-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL NATIONAL CENTER FOR ADDICTION STUDIES AND TREATMENT FOUNDATION 2016-01-21 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 (2 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-20160016939-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, TRPV1, SCN1A CTSS 1444/4885CTSK 3043/4885CTSL 3400/4885
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S CTSS 1397/4885CTSK 3352/4885CTSL 3031/4885

“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.