SCHEMBL7149013

SCHEMBL7149013

COC(=O)c1ccc(N(C)C(=O)CN(C)C(=O)[C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.46
ACE P12821 2/20 0.46
ECE1 P42892 2/20 0.46
HCRTR1 O43613 1/20 0.37
KMT2A Q03164 3/20 0.35
RAB9A P51151 1/20 0.35
NOTUM Q6P988 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KCNQ1 P51787 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
POLQ O75417 1/20 0.33
MLYCD O95822 1/20 0.33
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL7149016 1.00 MME (0.46) MMEACEECE1HCRTR1KMT2A
SCHEMBL7142245 0.91 MME (0.39) MMEACEECE1HCRTR1KMT2A
SCHEMBL7142242 0.91 MME (0.39) MMEACEECE1HCRTR1KMT2A
SCHEMBL7135263 0.88 MME (0.35) MMEACEECE1HCRTR1KMT2A
SCHEMBL7135260 0.88 MME (0.35) MMEACEECE1HCRTR1KMT2A
SCHEMBL7146638 0.87 MME (0.50) MMEACEECE1HCRTR1KMT2A
SCHEMBL7138196 0.87 MME (0.50) MMEACEECE1HCRTR1KMT2A
SCHEMBL7149006 0.86 MME (0.45) MMEACEECE1HCRTR1KMT2A
SCHEMBL7151575 0.86 MME (0.54) MMEACEECE1KMT2ARAB9A
SCHEMBL7151576 0.86 MME (0.54) MMEACEECE1KMT2ARAB9A

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.