SCHEMBL7148903

SCHEMBL7148903

COC(=O)c1ccc(N(C)C(=O)CN(C)C(=O)C2CC(SC(C)=O)CN2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
ECE1 P42892 1/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.36
MMP3 P08254 3/20 0.35
MMP1 P03956 2/20 0.35
MMP13 P45452 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MMP2 P08253 2/20 0.34
ANPEP P15144 1/20 0.34
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34
TSHR P16473 2/20 0.34
FBP1 P09467 1/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP7 P09237 1/20 0.33

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
SCHEMBL7135094 1.00 MME (0.41) MMEACEECE1KMT2AL3MBTL1
SCHEMBL7145219 0.95 MME (0.41) MMEACEECE1KMT2AMMP3
SCHEMBL7145223 0.95 MME (0.41) MMEACEECE1KMT2AMMP3
SCHEMBL7137408 0.92 MME (0.39) MMEACEECE1KMT2AMMP3
SCHEMBL7137410 0.92 MME (0.39) MMEACEECE1KMT2AMMP3
SCHEMBL7141610 0.90 POLB (0.41) MMEACEECE1KMT2AALDH1A1
SCHEMBL7141607 0.90 POLB (0.41) MMEACEECE1KMT2AALDH1A1
SCHEMBL7143218 0.89 HSD17B10 (0.36) MMEACEECE1KMT2AL3MBTL1
SCHEMBL7148396 0.89 HSD17B10 (0.36) MMEACEECE1KMT2AL3MBTL1
SCHEMBL7139459 0.88 MME (0.38) MMEACEECE1KMT2A

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.