SCHEMBL7142241

SCHEMBL7142241

CCOC(=O)c1ccc(NC(=O)CNC)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.70
RAB9A P51151 5/20 0.68
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
GAA P10253 3/20 0.65
ALDH1A1 P00352 4/20 0.62
MAPK1 P28482 1/20 0.62
POLB P06746 3/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 5/20 0.60
NPC1 O15118 2/20 0.60
MAPT P10636 2/20 0.60
CASP3 P42574 1/20 0.60
TRPV1 Q8NER1 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
TP53 P04637 1/20 0.60
KDM4E B2RXH2 1/20 0.58
CA12 O43570 1/20 0.58
CA9 Q16790 1/20 0.58

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
SCHEMBL9671985 0.85 TSHR (0.77) TSHRRAB9AMEN1KMT2AGAA
SCHEMBL2840870 0.84 TSHR (0.74) TSHRRAB9AMEN1KMT2AGAA
SCHEMBL2840873 0.84 TSHR (0.74) TSHRRAB9AMEN1KMT2AGAA
SCHEMBL5947516 0.83 TSHR (0.77) TSHRRAB9AMEN1KMT2AGAA
SCHEMBL6690396 0.83 TSHR (0.72) TSHRRAB9AMEN1KMT2AGAA
SCHEMBL6691604 0.83 TSHR (0.72) TSHRRAB9AMEN1KMT2AGAA
SCHEMBL9843022 0.83 GAA (0.76) TSHRRAB9AMEN1KMT2AGAA
SCHEMBL491660 0.83 TSHR (0.72) TSHRRAB9AMEN1KMT2AGAA
SCHEMBL21639596 0.83 TSHR (0.77) TSHRRAB9AMEN1KMT2AGAA
SCHEMBL7141724 0.83 TSHR (0.72) TSHRRAB9AMEN1KMT2AGAA

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 TSHR 2814/4885RAB9A 2425/4885MEN1 2985/4885

“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.