SCHEMBL5741740

SCHEMBL5741740

CC(C)C[C@H](NC(=O)c1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1C(=O)CO[C@@H]1C

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.53
ALDH1A1 P00352 1/20 0.43
LMNA P02545 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
SCHEMBL5741918 1.00 CTSK (0.53) CTSKALDH1A1LMNA
SCHEMBL5741769 0.94 CTSK (0.54) CTSK
SCHEMBL5743571 0.94 CTSK (0.54) CTSK
SCHEMBL6523315 0.93 CTSK (0.54) CTSK
SCHEMBL6520079 0.93 CTSK (0.54) CTSK
SCHEMBL5741733 0.93 CTSK (0.54) CTSK
SCHEMBL5741761 0.91 CTSK (0.64) CTSK
SCHEMBL8468179 0.91 CTSK (0.64) CTSK
SCHEMBL6510541 0.91 CTSK (0.64) CTSK
SCHEMBL5742583 0.91 CTSK (0.49) CTSK

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
EP-1358183-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2006-04-12 EP disclosed
US-20050070598-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2005-03-31 US disclosed
US-20040229915-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2004-11-18 US disclosed
US-20030186962-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2003-10-02 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 (3 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-20030186962-A1 Cysteine protease inhibitors C1R, CTSS, CTSZ CTSK 4/4885ALDH1A1 3348/4885LMNA 1883/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS CTSK 5/4885ALDH1A1 3475/4885LMNA 3195/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK CTSK 3/4885ALDH1A1 3118/4885LMNA 3004/4885

“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.