SCHEMBL7145223

SCHEMBL7145223

COC(=O)c1ccc(N(C)C(=O)CN(C)C(=O)C2CC(SC(C)=O)CN2S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
ECE1 P42892 1/20 0.41
MMP3 P08254 4/20 0.40
MMP9 P14780 4/20 0.39
MMP1 P03956 2/20 0.39
MMP13 P45452 2/20 0.39
MMP7 P09237 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP2 P08253 2/20 0.38
MMP8 P22894 4/20 0.35
ADAM17 P78536 1/20 0.35

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
SCHEMBL7145219 1.00 MME (0.41) MMEACEECE1MMP3MMP9
SCHEMBL7148903 0.95 MME (0.41) MMEACEECE1MMP3MMP9
SCHEMBL7135094 0.95 MME (0.41) MMEACEECE1MMP3MMP9
SCHEMBL7137410 0.91 MME (0.39) MMEACEECE1MMP3MMP1
SCHEMBL7137408 0.91 MME (0.39) MMEACEECE1MMP3MMP1
SCHEMBL7141610 0.89 POLB (0.41) MMEACEECE1MMP9KMT2A
SCHEMBL7141607 0.89 POLB (0.41) MMEACEECE1MMP9KMT2A
SCHEMBL7143218 0.87 HSD17B10 (0.36) MMEACEECE1KMT2A
SCHEMBL7148396 0.87 HSD17B10 (0.36) MMEACEECE1KMT2A
SCHEMBL7145216 0.86 MME (0.40) MMEACEECE1MMP3MMP9

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.