SCHEMBL5743416

SCHEMBL5743416

CC(C)CC(NC(=O)c1cccc(NCCN2CCOCC2)c1)C(=O)N(C)C1COCC1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
CTSK P43235 10/20 0.43
EPHX2 P34913 5/20 0.42
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TACR2 P21452 1/20 0.39
ACACB O00763 1/20 0.39
GRK2 P25098 1/20 0.38

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
SCHEMBL5744974 0.90 CTSK (0.45) CTSKEPHX2
SCHEMBL5742597 0.85 CTSK (0.47) CTSK
SCHEMBL6510130 0.82 CTSK (0.51) PRMT5WDR77CTSKEPHX2TACR2
SCHEMBL5743048 0.81 CTSK (0.48) CTSK
SCHEMBL6515531 0.81 CTSK (0.49) PRMT5WDR77CTSKEPHX2
SCHEMBL5743944 0.81 CTSK (0.47) CTSK
SCHEMBL5741588 0.80 CTSK (0.47) CTSK
SCHEMBL5741927 0.80 CTSK (0.49) CTSK
SCHEMBL6512275 0.80 CTSK (0.48) PRMT5WDR77CTSKEPHX2
SCHEMBL5744879 0.78 CTSK (0.45) PRMT5CTSK

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 6 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
EP-1358183-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2003-11-05 EP disclosed
US-20030186962-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2003-10-02 US disclosed
WO-2002088106-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2002-11-07 WO 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 PRMT5 2569/4885WDR77 4213/4885CTSK 4/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS PRMT5 2059/4885WDR77 4317/4885CTSK 5/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK PRMT5 1991/4885WDR77 3299/4885CTSK 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.