SCHEMBL5741787

SCHEMBL5741787

C=C(C)C[C@H](NC(=O)c1ccc(O)c(CN2CCOCC2)c1)C(=O)N[C@@H]1C(=O)CO[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CTSK P43235 16/20 0.35
CTSL P07711 12/20 0.35
CTSS P25774 12/20 0.35
CTSB P07858 1/20 0.35
CACNA1B Q00975 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL5744818 0.89 CTSK (0.46) CTSK
SCHEMBL6514175 0.79 CTSK (0.51) CTSKCTSLCTSSCTSB
SCHEMBL6488393 0.78 CTSL (0.49) CTSKCTSLCTSS
SCHEMBL8265840 0.77 CTSL (0.61) CTSKCTSLCTSS
SCHEMBL5743441 0.77 CTSK (0.50) CTSKCTSLCTSS
SCHEMBL6475887 0.77 CTSL (0.45) CTSKCTSLCTSS
SCHEMBL6514275 0.77 CTSL (0.45) CTSKCTSLCTSS
SCHEMBL6481730 0.76 CTSL (0.47) CTSKCTSLCTSS
SCHEMBL5744626 0.76 CTSK (0.49) CTSKCTSLCTSSCTSB
SCHEMBL6515438 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 CNR1 84/4885CNR2 190/4885CTSK 4/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS CNR1 50/4885CNR2 132/4885CTSK 5/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK CNR1 157/4885CNR2 596/4885CTSK 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.