SCHEMBL7141047

SCHEMBL7141047

CN(C(=O)CNC=O)c1ccc(CO)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPIB P23284 2/20 0.40
LMNA P02545 1/20 0.36
DRD4 P21917 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
POLQ O75417 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC2 Q92769 1/20 0.33
THRB P10828 1/20 0.32
MLYCD O95822 2/20 0.32
MGLL Q99685 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MMP8 P22894 1/20 0.32

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
SCHEMBL7151466 0.84 PPIB (0.43) PPIBLMNATHRB
SCHEMBL7141053 0.82 CA1 (0.46) PPIBDRD4CA1CA2HDAC1
SCHEMBL5638853 0.82 PPIB (0.49) PPIBDRD4POLQMEN1KMT2A
SCHEMBL7148520 0.80 PPIB (0.38) PPIBLMNAPOLQMLYCD
SCHEMBL7147217 0.76 PPIB (0.35) PPIBMLYCD
SCHEMBL20739091 0.76 KMT2A (0.37) PPIBLMNADRD4CA1CA2
SCHEMBL7141049 0.76 CA1 (0.40) PPIBDRD4CA1CA2POLQ
SCHEMBL18843564 0.74 PPARG (0.39) CA1CA2HDAC1HDAC6MGLL
SCHEMBL9705583 0.74 PPARG (0.39) CA1CA2HDAC1HDAC6MGLL
SCHEMBL25188378 0.72 PPARG (0.42) LMNACA1CA2HDAC1HDAC6

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-20020049243-A1 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. 2002-04-25 US claimed
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 PPIB 304/4885LMNA 4821/4885DRD4 2208/4885

“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.