SCHEMBL7135602

SCHEMBL7135602

COC(=O)c1ccc(NCC(=O)CN(C)C(=O)C2CC(S)CN2S(=O)(=O)/C=C/c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
ECE1 P42892 1/20 0.43
ALDH1A1 P00352 5/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 2/20 0.38
AGTR1 P30556 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
FKBP1A P62942 6/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP8 P22894 2/20 0.33
MMP3 P08254 1/20 0.33
HSP90AA1 P07900 1/20 0.33
GRIN2B Q13224 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
SCHEMBL7144605 0.88 ALDH1A1 (0.36) MMEACEECE1ALDH1A1RAB9A
SCHEMBL7140421 0.86 MME (0.53) MMEACEECE1ALDH1A1RAB9A
SCHEMBL7140418 0.86 MME (0.53) MMEACEECE1ALDH1A1RAB9A
SCHEMBL7135606 0.86 MME (0.44) MMEACEECE1ALDH1A1RAB9A
SCHEMBL7148077 0.86 MME (0.44) MMEACEECE1ALDH1A1RAB9A
SCHEMBL7148086 0.86 MME (0.44) MMEACEECE1ALDH1A1RAB9A
SCHEMBL7148080 0.86 MME (0.44) MMEACEECE1ALDH1A1RAB9A
SCHEMBL7140139 0.82 MME (0.46) MMEACEECE1ALDH1A1RAB9A
SCHEMBL7147197 0.82 MME (0.46) MMEACEECE1ALDH1A1RAB9A
SCHEMBL7134807 0.81 MME (0.45) MMEACEECE1ALDH1A1LMNA

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.