SCHEMBL7141699

SCHEMBL7141699

CCCCOc1ccc(S(=O)(=O)N2C[C@@H](S)C[C@H]2C(=O)Nc2ccc(C(=O)OCC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.55
MMP3 P08254 11/20 0.55
MAPT P10636 3/20 0.54
GAA P10253 2/20 0.54
ADRB2 P07550 1/20 0.54
KMT2A Q03164 1/20 0.53
MMP7 P09237 11/20 0.53
MMP13 P45452 9/20 0.53
MMP2 P08253 4/20 0.53
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL7141693 1.00 MMP1 (0.55) MMP1MMP3MAPTGAAADRB2
SCHEMBL7139510 0.91 ALDH1A1 (0.59) MMP1MMP3MAPTGAAADRB2
SCHEMBL7139515 0.91 ALDH1A1 (0.59) MMP1MMP3MAPTGAAADRB2
SCHEMBL7145515 0.87 MAPT (0.58) MMP3MAPTGAAADRB2KMT2A
SCHEMBL7145520 0.87 MAPT (0.58) MMP3MAPTGAAADRB2KMT2A
SCHEMBL7142515 0.87 MAPT (0.53) MAPTGAAADRB2KMT2ANPSR1
SCHEMBL7142514 0.87 MAPT (0.53) MAPTGAAADRB2KMT2ANPSR1
SCHEMBL7141707 0.85 MME (0.60) MAPTGAAADRB2KMT2ANPSR1
SCHEMBL7141703 0.85 MME (0.60) MAPTGAAADRB2KMT2ANPSR1
SCHEMBL7142252 0.85 MME (0.60) MAPTGAAADRB2KMT2ANPSR1

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 MMP1 48/4885MMP3 9/4885MAPT 2428/4885

“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.