SCHEMBL7141897

SCHEMBL7141897

CCCCOc1ccc(S(=O)(=O)N2CC(S)CC2C(=O)N2CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
RECQL P46063 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MMP1 P03956 13/20 0.55
MMP3 P08254 13/20 0.55
MMP7 P09237 13/20 0.55
MMP13 P45452 10/20 0.55
MMP2 P08253 5/20 0.52
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7141901 1.00 TSHR (0.58) TSHRMAPK1RECQLL3MBTL1MMP1
SCHEMBL7140957 0.87 ALDH1A1 (0.60) TSHRMMP1MMP3MMP7MMP13
SCHEMBL7140954 0.87 ALDH1A1 (0.60) TSHRMMP1MMP3MMP7MMP13
SCHEMBL7150614 0.81 ALDH1A1 (0.57) TSHRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL7150616 0.81 ALDH1A1 (0.57) TSHRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL7151655 0.78 ECE1 (0.56) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL7151653 0.78 ECE1 (0.56) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL8199772 0.76 TSHR (0.54) TSHRMAPK1RECQLL3MBTL1MMP1
SCHEMBL5723530 0.76 MMP1 (0.58) MMP1MMP3MMP7MMP13MMP2
SCHEMBL7142447 0.76 MMP3 (0.51) MMP1MMP3MMP7MMP13MMP2

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 TSHR 2814/4885MAPK1 4292/4885RECQL 4342/4885

“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.