SCHEMBL7144467

SCHEMBL7144467

COC(=O)c1ccc(N(C)C(=O)CN(C)C(=O)[C@@H]2C[C@@H](SC(C)=O)CN2S(=O)(=O)c2cccc3ccccc23)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
NR1D1 P20393 1/20 0.37
CCR4 P51679 1/20 0.36
CNR1 P21554 3/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
HTR6 P50406 2/20 0.32
KMT2A Q03164 1/20 0.32
NOTUM Q6P988 1/20 0.31
LMNA P02545 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30

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
SCHEMBL7139459 1.00 MME (0.38) MMEACEECE1NR1D1CCR4
SCHEMBL7138019 0.88 ALDH1A1 (0.44) HCRTR1KMT2ALMNA
SCHEMBL7138016 0.88 ALDH1A1 (0.44) HCRTR1KMT2ALMNA
SCHEMBL7146638 0.88 MME (0.50) MMEACEECE1NR1D1CCR4
SCHEMBL7138196 0.88 MME (0.50) MMEACEECE1NR1D1CCR4
SCHEMBL7135094 0.88 MME (0.41) MMEACEECE1KMT2A
SCHEMBL7148903 0.88 MME (0.41) MMEACEECE1KMT2A
SCHEMBL7135263 0.87 MME (0.35) MMEACEECE1HCRTR1KMT2A
SCHEMBL7135260 0.87 MME (0.35) MMEACEECE1HCRTR1KMT2A
SCHEMBL7150497 0.87 MME (0.34) MMEACEECE1

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.