SCHEMBL5743949

SCHEMBL5743949

CC(C)C[C@H](NC(=O)c1cc2cc(OCCN3CCOCC3)ccc2o1)C(=O)N[C@@H]1C(=O)CO[C@@H]1C

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.57
CTSL P07711 11/20 0.57
CTSS P25774 7/20 0.57
CTSB P07858 4/20 0.57
UTS2R Q9UKP6 2/20 0.46
TAS1R3 Q7RTX0 3/20 0.46
TAS1R1 Q7RTX1 3/20 0.46
CTSV O60911 2/20 0.41

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
SCHEMBL5745635 0.91 CTSK (0.49) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL14345772 0.86 CTSK (0.64) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL5744937 0.86 TAS1R3 (0.64) CTSKCTSLCTSBTAS1R3TAS1R1
SCHEMBL5744609 0.80 CTSK (0.70) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL4690508 0.79 CTSK (0.74) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL4765813 0.78 CTSK (0.73) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL4689513 0.78 CTSK (0.67) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4690381 0.77 CTSK (0.75) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL6589430 0.76 CTSK (0.55) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL5744626 0.76 CTSK (0.49) CTSKCTSLCTSSCTSB

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 4/4885CTSL 10/4885CTSS 2/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS CTSK 5/4885CTSL 13/4885CTSS 3/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK CTSK 3/4885CTSL 9/4885CTSS 4/4885

“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.