SCHEMBL7146028

SCHEMBL7146028

CC(C)C[C@H](NC(=O)[C@@H]1C[C@@H](S)CN1C(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
CTRB1 P17538 1/20 0.46
CTSK P43235 9/20 0.45
CTSL P07711 3/20 0.45
CTSS P25774 2/20 0.45
ACE2 Q9BYF1 1/20 0.44
MME P08473 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
SCHEMBL7147181 0.92 POLB (0.47) POLBCTRB1CTSKCTSLCTSS
SCHEMBL7144595 0.86 POLB (0.48) POLBCTRB1CTSKCTSSACE2
SCHEMBL7150573 0.85 OPRM1 (0.54) CTRB1MME
SCHEMBL7960534 0.83 POLB (0.43) POLBCTRB1CTSKCTSLCTSS
SCHEMBL7150010 0.83 POLB (0.47) POLBCTRB1
SCHEMBL7148259 0.83 CTRB1 (0.54) POLBCTRB1CTSKCTSL
SCHEMBL24513611 0.82 CTRB1 (0.64) CTRB1CTSKCTSLACE2
SCHEMBL11167627 0.82 CTRB1 (0.64) CTRB1CTSKCTSLACE2
SCHEMBL11167632 0.82 CTRB1 (0.64) CTRB1CTSKCTSLACE2
SCHEMBL11450738 0.82 CTRB1 (0.64) CTRB1CTSKCTSLACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6541638-B2 (2S,4S)-1-(4-Mercapto-1-(naphthalene-2-sulfonyl)-pyrrolidine-2 -carbonyl)-piperidine-4-carboxylic acid ethyl ester for example; zinc protease inhibitors; for treating diseases associated with vasoconstriction HOFFMAN-LA ROCHE INC. 2003-04-01 US disclosed
US-20020049243-A1 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. 2002-04-25 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 (1 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-20020049243-A1 Pyrrolidine derivatives PREP, PEPD, DNPEP POLB 1465/4885CTRB1 283/4885CTSK 182/4885

“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.