SCHEMBL4318397

SCHEMBL4318397

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1C(C)CCN(Cc2ccccc2)CC1O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.49
MAPK1 P28482 1/20 0.49
UTS2R Q9UKP6 3/20 0.48
REN P00797 2/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
SCN9A Q15858 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
SCHEMBL4318401 1.00 CTSK (0.49) CTSKMAPK1UTS2RRENBCHE
SCHEMBL7400619 0.87 UTS2R (0.62) MAPK1UTS2RSCN9A
SCHEMBL7415020 0.87 UTS2R (0.62) MAPK1UTS2RSCN9A
SCHEMBL7402928 0.87 UTS2R (0.62) MAPK1UTS2RSCN9A
SCHEMBL7403794 0.85 UTS2R (0.55) CTSKMAPK1UTS2RRENBCHE
SCHEMBL7407107 0.82 UTS2R (0.61) MAPK1UTS2R
SCHEMBL7408984 0.80 UTS2R (0.65) UTS2R
SCHEMBL7409507 0.79 HRH2 (0.55) CTSKMAPK1UTS2RRENSCN9A
SCHEMBL65855 0.78 CACNA1B (0.60) CTSKMAPK1REN
SCHEMBL16497945 0.78 CACNA1B (0.60) CTSKMAPK1REN

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
US-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 US disclosed
US-7071184-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-07-04 US disclosed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 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 (2 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-20060194787-A1 Protease inhibitors CTSK, CTSL, CTSZ CTSK 1/4885MAPK1 2421/4885UTS2R 4088/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ CTSK 1/4885MAPK1 2113/4885UTS2R 4339/4885

“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.