SCHEMBL13819871

SCHEMBL13819871

C#C[C@@H]1CC(C(=O)[C@@H](NC(=O)c2ccc(-c3nc(N4CCN(C)CC4)sc3F)cc2)C2CCCC2)[C@H]2[C@@H]1OCC2(OC)OC

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.64
CTSL P07711 9/20 0.64
CTSS P25774 9/20 0.64
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL15241308 0.86 CTSK (0.74) CTSKCTSLCTSS
SCHEMBL11925976 0.86 CTSK (0.74) CTSKCTSLCTSS
SCHEMBL21137665 0.86 CTSK (0.74) CTSKCTSLCTSS
SCHEMBL13826893 0.78 CTSK (0.61) CTSKCTSLCTSS
SCHEMBL11925968 0.78 CTSK (1.00) CTSKCTSLCTSS
SCHEMBL14878498 0.78 CTSK (0.60) CTSKCTSLCTSSSMN1; SMN2
SCHEMBL21137261 0.78 CTSK (1.00) CTSKCTSLCTSS
SCHEMBL15241306 0.78 CTSK (1.00) CTSKCTSLCTSS
SCHEMBL15241298 0.78 CTSK (1.00) CTSKCTSLCTSS
SCHEMBL22266814 0.76 CTSK (0.67) CTSKCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426421-B2 Protease inhibitors MEDIVIR AB (SE) 2013-04-23 US disclosed
US-8426421-B2 Protease inhibitors MEDIVIR AB (SE) 2013-04-23 US disclosed
US-20120289519-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2012-11-15 US disclosed
US-20120289519-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2012-11-15 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-20120289519-A1 PROTEASE INHIBITORS F2RL1, F2RL3, PREP CTSK 67/4885CTSL 7/4885CTSS 36/4885

“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.