SCHEMBL7140148

SCHEMBL7140148

COC(=O)c1ccc(NCC(=O)CN(C)C(=O)C2CC(SC(C)=O)CN2S(=O)(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
ECE1 P42892 1/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ELOVL6 Q9H5J4 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
RAB9A P51151 3/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 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
SCHEMBL7148898 0.92 MME (0.40) MMEACEECE1TSHRALDH1A1
SCHEMBL7145216 0.91 MME (0.40) MMEACEECE1TSHRALDH1A1
SCHEMBL7141603 0.90 POLB (0.39) MMEACEECE1TSHRALDH1A1
SCHEMBL7137410 0.86 MME (0.39) MMEACEECE1TSHRALDH1A1
SCHEMBL7137408 0.86 MME (0.39) MMEACEECE1TSHRALDH1A1
SCHEMBL7140488 0.85 ALDH1A1 (0.40) MMEACEECE1ALDH1A1SMN1; SMN2
SCHEMBL7136630 0.84 MME (0.34) MMEACEECE1ALDH1A1GAA
SCHEMBL7148392 0.84 CA1 (0.38) MMEACEECE1ALDH1A1GAA
SCHEMBL7144462 0.84 MME (0.38) MMEACEECE1TSHRALDH1A1
SCHEMBL7143826 0.81 ALDH1A1 (0.46) TSHRALDH1A1MAPK1GAASMN1; SMN2

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.