SCHEMBL7137755

SCHEMBL7137755

COC(=O)[C@@H]1C[C@@H](OS(=O)(=O)c2ccc(C)cc2)CN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.54
ACE P12821 2/20 0.54
ECE1 P42892 2/20 0.54
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 1/20 0.47
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
MMP2 P08253 5/20 0.46
ANPEP P15144 1/20 0.46
CYP19A1 P11511 1/20 0.44
HTT P42858 2/20 0.43
PKM P14618 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ENPP2 Q13822 1/20 0.42
MMP9 P14780 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
TSHR P16473 2/20 0.41

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
SCHEMBL7137757 1.00 MME (0.54) MMEACEECE1ALDH1A1KMT2A
SCHEMBL7137756 1.00 MME (0.54) MMEACEECE1ALDH1A1KMT2A
SCHEMBL13708370 0.89 ALDH1A1 (0.59) ALDH1A1KMT2AMMP2ANPEPCYP19A1
SCHEMBL8299354 0.89 ALDH1A1 (0.59) ALDH1A1KMT2AMMP2ANPEPCYP19A1
SCHEMBL7142526 0.88 MME (0.46) MMEACEECE1ALDH1A1KMT2A
SCHEMBL7152576 0.88 MME (0.46) MMEACEECE1ALDH1A1KMT2A
SCHEMBL23630296 0.82 HCRTR1 (0.52) MMEACEECE1ALDH1A1KMT2A
SCHEMBL6980507 0.81 MME (0.49) MMEACEECE1ALDH1A1KMT2A
SCHEMBL7166230 0.81 MME (0.49) MMEACEECE1ALDH1A1KMT2A
SCHEMBL5409165 0.81 MME (0.49) MMEACEECE1ALDH1A1KMT2A

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 MME 99/4885ACE 44/4885ECE1 4/4885

“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.