SCHEMBL7149261

SCHEMBL7149261

CC(C)(C)OC(=O)[C@@H]1C[C@H](OS(C)(=O)=O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
MCL1 Q07820 5/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
ABCB1 P08183 1/20 0.40
KLK7 P49862 1/20 0.39
MMP2 P08253 1/20 0.39
ANPEP P15144 1/20 0.39
PTPN1 P18031 1/20 0.39
AGTR2 P50052 1/20 0.39

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
SCHEMBL4923969 0.92 MCL1 (0.45) POLBMCL1ABCB1KLK7
SCHEMBL1781450 0.92 MCL1 (0.45) POLBMCL1ABCB1KLK7
SCHEMBL1781452 0.92 MCL1 (0.45) POLBMCL1ABCB1KLK7
SCHEMBL8830987 0.89 MMP2 (0.49) POLBMMP2ANPEPPTPN1
SCHEMBL2317032 0.89 MMP2 (0.49) POLBMMP2ANPEPPTPN1
SCHEMBL15399060 0.89 MMP2 (0.49) POLBMMP2ANPEPPTPN1
SCHEMBL7734259 0.89 MMP2 (0.49) POLBMMP2ANPEPPTPN1
SCHEMBL9521198 0.87 POLB (0.48) POLBAGTR2
SCHEMBL2678881 0.85 POLB (0.58) POLBPDK1PDK2PDK3PDK4
SCHEMBL14820472 0.85 POLB (0.58) POLBPDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303485-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
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
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 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 (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 1465/4885MCL1 3453/4885PDK1 216/4885

“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.