SCHEMBL7148080

SCHEMBL7148080

COC(=O)c1ccc(N(C)C(=O)CN(C)C(=O)C2CC(S)CN2S(=O)(=O)/C=C/c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
ECE1 P42892 1/20 0.44
GAA P10253 2/20 0.36
FKBP1A P62942 6/20 0.36
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
PPARG P37231 1/20 0.35
MMP8 P22894 2/20 0.34
MMP3 P08254 1/20 0.34
RAB9A P51151 1/20 0.34
PTPN1 P18031 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CDC25B P30305 1/20 0.32
DUSP3 P51452 1/20 0.32

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
SCHEMBL7135606 1.00 MME (0.44) MMEACEECE1GAAFKBP1A
SCHEMBL7148077 1.00 MME (0.44) MMEACEECE1GAAFKBP1A
SCHEMBL7148086 1.00 MME (0.44) MMEACEECE1GAAFKBP1A
SCHEMBL7144610 0.88 GAA (0.35) MMEACEECE1GAAFKBP1A
SCHEMBL7144613 0.88 GAA (0.35) MMEACEECE1GAAFKBP1A
SCHEMBL7144619 0.88 GAA (0.35) MMEACEECE1GAAFKBP1A
SCHEMBL7144624 0.88 GAA (0.35) MMEACEECE1GAAFKBP1A
SCHEMBL7151576 0.86 MME (0.54) MMEACEECE1GAAKMT2A
SCHEMBL7151575 0.86 MME (0.54) MMEACEECE1GAAKMT2A
SCHEMBL7135602 0.86 MME (0.43) MMEACEECE1GAAFKBP1A

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 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.