SCHEMBL5948848

SCHEMBL5948848

CC(C)C[C@H](N)C(=O)N[C@H]1CC[C@@H](C)N(C(=O)N2CCOCC2)C[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.36
CTSS P25774 7/20 0.33
DPP4 P27487 2/20 0.33
CTSK P43235 2/20 0.33
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ARG1 P05089 1/20 0.32
LIPE Q05469 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
PEPD P12955 1/20 0.31
CAPN1 P07384 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL5948841 0.79 PKM (0.30) PKMSMN1; SMN2LIPE
SCHEMBL4316707 0.79 CTSS (0.40) CTSSCTSKLIPE
SCHEMBL6257545 0.76 CTSK (0.53) CTSSCTSK
SCHEMBL4318525 0.75 POLB (0.47) CACNA1BDPP4CTSKSMN1; SMN2PEPD
SCHEMBL4327583 0.75 POLB (0.47) CACNA1BDPP4CTSKSMN1; SMN2PEPD
SCHEMBL4318521 0.75 POLB (0.47) CACNA1BDPP4CTSKSMN1; SMN2PEPD
SCHEMBL4318518 0.75 POLB (0.47) CACNA1BDPP4CTSKSMN1; SMN2PEPD
SCHEMBL4327587 0.75 POLB (0.47) CACNA1BDPP4CTSKSMN1; SMN2PEPD
SCHEMBL4317290 0.74 CACNA1B (0.38) CACNA1BDPP4CTSKARG1DPP8
SCHEMBL4318923 0.74 CACNA1B (0.43) CACNA1BDPP4CTSKARG1PEPD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 US claimed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 US claimed
US-7071184-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-07-04 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 CACNA1B 4408/4885CTSS 4/4885DPP4 80/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ CACNA1B 4272/4885CTSS 5/4885DPP4 40/4885

“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.