SCHEMBL7144786

SCHEMBL7144786

CCOC(=O)C1CCN(C(=O)C2CC(S)CN2S(=O)(=O)c2cccs2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PKM P14618 3/20 0.48
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
HPGD P15428 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL7144782 1.00 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AMEN1HSD17B10NPC1
SCHEMBL7134936 0.81 KMT2A (0.59) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL7134940 0.81 KMT2A (0.59) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL7144497 0.80 NPSR1 (0.62) SMN1; SMN2KMT2AMEN1HSD17B10NPC1
SCHEMBL7144500 0.80 NPSR1 (0.62) SMN1; SMN2KMT2AMEN1HSD17B10NPC1
SCHEMBL7143338 0.80 NR1D1 (0.53) KMT2AMEN1HSD17B10NPC1RAB9A
SCHEMBL7142130 0.80 KMT2A (0.68) SMN1; SMN2KMT2AMEN1PKMALDH1A1
SCHEMBL7143335 0.80 NR1D1 (0.53) KMT2AMEN1HSD17B10NPC1RAB9A
SCHEMBL7135751 0.80 KMT2A (0.68) SMN1; SMN2KMT2AMEN1PKMALDH1A1
SCHEMBL7135749 0.80 KMT2A (0.68) SMN1; SMN2KMT2AMEN1PKMALDH1A1

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 SMN1; SMN2 3409/4885KMT2A 1971/4885MEN1 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.