SCHEMBL7142571

SCHEMBL7142571

CCOC(=O)C1CCN(C(=O)[C@@H]2C[C@H](S)CN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.63
MEN1 O00255 5/20 0.63
ALDH1A1 P00352 6/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
PKM P14618 1/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 2/20 0.46
USP2 O75604 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL7137744 1.00 KMT2A (0.63) KMT2AMEN1ALDH1A1L3MBTL1PKM
SCHEMBL7137740 1.00 KMT2A (0.63) KMT2AMEN1ALDH1A1L3MBTL1PKM
SCHEMBL7134936 0.88 KMT2A (0.59) KMT2AMEN1ALDH1A1L3MBTL1PKM
SCHEMBL7134940 0.88 KMT2A (0.59) KMT2AMEN1ALDH1A1L3MBTL1PKM
SCHEMBL7142130 0.84 KMT2A (0.68) KMT2AMEN1ALDH1A1PKMLMNA
SCHEMBL7135749 0.84 KMT2A (0.68) KMT2AMEN1ALDH1A1PKMLMNA
SCHEMBL7135751 0.84 KMT2A (0.68) KMT2AMEN1ALDH1A1PKMLMNA
SCHEMBL7150614 0.82 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1L3MBTL1PKM
SCHEMBL7150616 0.82 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1L3MBTL1PKM
SCHEMBL7142231 0.81 KMT2A (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR

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 KMT2A 1971/4885MEN1 2985/4885ALDH1A1 767/4885

“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.