SCHEMBL5744937

SCHEMBL5744937

COc1ccc2oc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]3C(=O)CO[C@@H]3C)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 14/20 0.64
TAS1R1 Q7RTX1 14/20 0.64
CTSK P43235 4/20 0.53
CTSL P07711 4/20 0.46
CTSB P07858 1/20 0.46
BCAT1 P54687 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
SCHEMBL5744346 0.88 TAS1R3 (0.50) TAS1R3TAS1R1CTSKCTSLBCAT1
SCHEMBL5744609 0.87 CTSK (0.70) TAS1R3TAS1R1CTSKCTSLCTSB
SCHEMBL5743949 0.86 CTSK (0.57) TAS1R3TAS1R1CTSKCTSLCTSB
SCHEMBL5743549 0.80 CTSK (0.60) TAS1R3TAS1R1CTSKCTSLCTSB
SCHEMBL10226450 0.79 TAS1R3 (1.00) TAS1R3TAS1R1
SCHEMBL4201557 0.79 TAS1R3 (1.00) TAS1R3TAS1R1
SCHEMBL12670005 0.78 TAS1R3 (0.61) TAS1R3TAS1R1CTSKCTSL
SCHEMBL5745635 0.76 CTSK (0.49) TAS1R3TAS1R1CTSKCTSLCTSB
SCHEMBL8283411 0.76 TAS1R3 (0.58) TAS1R3TAS1R1CTSK
SCHEMBL5743287 0.76 CTSK (0.69) CTSKCTSLCTSB

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

“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.