SCHEMBL7149181

SCHEMBL7149181

CN(C(=O)CNCC(=O)C1CC(S)CN1S(=O)(=O)c1cccs1)c1ccc(C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.35
PKM P14618 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 5/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
UBE2N P61088 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7143747 0.87 KMT2A (0.41) LMNAKMT2AMEN1ALDH1A1GAA
SCHEMBL7141834 0.85 LMNA (0.42) LMNAHTTPKMKMT2AALDH1A1
SCHEMBL7141832 0.85 LMNA (0.42) LMNAHTTPKMKMT2AALDH1A1
SCHEMBL7143169 0.84 KMT2A (0.41) KMT2A
SCHEMBL7137724 0.83 KMT2A (0.37) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL7139383 0.82 HSD17B10 (0.37) KMT2AALDH1A1GAA
SCHEMBL7150458 0.82 CCR4 (0.40) LMNAKMT2A
SCHEMBL7142485 0.82 ECE1 (0.53) HTTPKMKMT2AALDH1A1
SCHEMBL7145955 0.81 RAB9A (0.38) SMN1; SMN2KMT2AMEN1ALDH1A1GAA
SCHEMBL7150098 0.80 FABP1 (0.42) SMN1; SMN2KMT2AALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 LMNA 4821/4885SMN1; SMN2 3409/4885HTT 2147/4885

“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.