SCHEMBL7148591

SCHEMBL7148591

CN(CC(=O)N(C)c1ccc(C(=O)O)cc1)C(=O)C1CC(S)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.46
ACE P12821 2/20 0.46
ECE1 P42892 2/20 0.46
KMT2A Q03164 1/20 0.40
MMP3 P08254 3/20 0.39
MMP8 P22894 2/20 0.39
MCL1 Q07820 1/20 0.39
ALOX5 P09917 5/20 0.39
PTGES O14684 4/20 0.39
MMP9 P14780 2/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
MMP2 P08253 1/20 0.38
MMP1 P03956 1/20 0.38
MMP7 P09237 1/20 0.38
MMP13 P45452 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL7143171 1.00 MME (0.46) MMEACEECE1KMT2AMMP3
SCHEMBL7144617 0.90 ECE1 (0.43) MMEACEECE1KMT2AMMP3
SCHEMBL7137727 0.90 ECE1 (0.43) MMEACEECE1KMT2AMMP3
SCHEMBL7141766 0.89 ECE1 (0.60) MMEACEECE1KMT2AMCL1
SCHEMBL7141764 0.89 ECE1 (0.60) MMEACEECE1KMT2AMCL1
SCHEMBL7151576 0.86 MME (0.54) MMEACEECE1KMT2AMMP3
SCHEMBL7151575 0.86 MME (0.54) MMEACEECE1KMT2AMMP3
SCHEMBL7139393 0.85 MME (0.39) MMEACEECE1KMT2A
SCHEMBL7139389 0.85 MME (0.39) MMEACEECE1KMT2A
SCHEMBL7143169 0.84 KMT2A (0.41) MMEACEECE1KMT2AMMP3

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.