SCHEMBL5744609

SCHEMBL5744609

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1C(=O)CO[C@@H]1C

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.70
TAS1R3 Q7RTX0 2/20 0.58
TAS1R1 Q7RTX1 2/20 0.58
CTSL P07711 13/20 0.57
CTSB P07858 4/20 0.57
CTSS P25774 10/20 0.54
CTSV O60911 2/20 0.54
UTS2R Q9UKP6 1/20 0.48

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
SCHEMBL5743549 0.93 CTSK (0.60) CTSKTAS1R3TAS1R1CTSLCTSB
SCHEMBL5762282 0.88 CTSK (0.54) CTSKTAS1R3TAS1R1CTSLCTSB
SCHEMBL5744937 0.87 TAS1R3 (0.64) CTSKTAS1R3TAS1R1CTSLCTSB
SCHEMBL5743287 0.83 CTSK (0.69) CTSKCTSLCTSBCTSS
SCHEMBL5741731 0.83 CTSK (0.70) CTSKTAS1R3TAS1R1CTSBCTSS
SCHEMBL5742161 0.81 CASP1 (0.62) CTSKCTSLCTSBCTSS
SCHEMBL6476716 0.81 CTSK (0.48) CTSKCTSLCTSBCTSS
SCHEMBL6476654 0.80 CTSK (0.52) CTSKCTSLCTSS
SCHEMBL5744398 0.80 CTSK (0.67) CTSKCTSLCTSBCTSS
SCHEMBL5743949 0.80 CTSK (0.57) CTSKTAS1R3TAS1R1CTSLCTSB

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 4/4885TAS1R3 977/4885TAS1R1 1274/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS CTSK 5/4885TAS1R3 1604/4885TAS1R1 2087/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK CTSK 3/4885TAS1R3 442/4885TAS1R1 351/4885

“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.