SCHEMBL7141952

SCHEMBL7141952

COc1ccc(CS[C@@H]2C[C@@H](C(=O)O)N(S(=O)(=O)CCc3ccccc3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 8/20 0.48
MMP13 P45452 5/20 0.48
MMP12 P39900 3/20 0.48
FKBP1A P62942 6/20 0.44
MMP3 P08254 5/20 0.43
MMP1 P03956 3/20 0.42
MMP7 P09237 3/20 0.42
MMP2 P08253 1/20 0.42
AGTR2 P50052 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MMP9 P14780 1/20 0.40

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
SCHEMBL7140472 0.88 MMP13 (0.44) MMP8MMP13MMP12FKBP1AMMP3
SCHEMBL7143328 0.84 CA12 (0.41) MMP8MMP13MMP12MMP3MMP1
SCHEMBL7143325 0.84 CA12 (0.41) MMP8MMP13MMP12MMP3MMP1
SCHEMBL7148821 0.80 TP53 (0.42) MMP8MMP13MMP12
SCHEMBL5723539 0.80 CA12 (0.49) MMP13MMP3MMP1MMP7MMP2
SCHEMBL7151380 0.79 MAPT (0.41) MMP8MMP13MMP12CA12CA9
SCHEMBL7151387 0.78 MAPK1 (0.46) CA12CA9
SCHEMBL7138647 0.78 MAPK1 (0.46) CA12CA9
SCHEMBL8440250 0.78 ALDH1A1 (0.42)
SCHEMBL7454797 0.78 ALDH1A1 (0.42)

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 MMP8 105/4885MMP13 96/4885MMP12 34/4885

“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.