SCHEMBL7147181

SCHEMBL7147181

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
CTRB1 P17538 1/20 0.44
CTSK P43235 11/20 0.43
CTSL P07711 3/20 0.43
CTSS P25774 2/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACE P12821 1/20 0.41

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
SCHEMBL7146028 0.92 POLB (0.46) POLBCTRB1CTSKCTSLCTSS
SCHEMBL11459575 0.83 CTRB1 (0.61) CTRB1CTSKCTSLLMNAKDM4E
SCHEMBL10706654 0.83 CTRB1 (0.61) CTRB1CTSKCTSLLMNAKDM4E
SCHEMBL7144595 0.82 POLB (0.48) POLBCTRB1CTSKCTSSLMNA
SCHEMBL7150010 0.81 POLB (0.47) POLBCTRB1LMNAKDM4E
SCHEMBL7148259 0.80 CTRB1 (0.54) POLBCTRB1CTSKCTSLLMNA
SCHEMBL11123202 0.80 CTRB1 (0.58) CTRB1CTSKCTSLLMNAKDM4E
SCHEMBL7147062 0.80 TSHR (0.49) POLBCTRB1TSHR
SCHEMBL7150573 0.79 OPRM1 (0.54) CTRB1ACE
SCHEMBL7135821 0.79 POLB (0.58) POLBLMNAKDM4E

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.