SCHEMBL15080628

SCHEMBL15080628

CC(C)C(=O)NC(C)C(=O)NC(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.48
ACE P12821 3/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
LTA4H P09960 3/20 0.40
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ANPEP P15144 1/20 0.37
ECE1 P42892 1/20 0.37

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
SCHEMBL15307782 1.00 MME (0.48) MMEACECPA1ACE2LTA4H
SCHEMBL18098146 1.00 MME (0.48) MMEACECPA1ACE2LTA4H
SCHEMBL7362168 0.95 MME (0.52) MMEACECPA1ACE2LTA4H
SCHEMBL7725288 0.95 MME (0.52) MMEACECPA1ACE2LTA4H
SCHEMBL9652457 0.95 MME (0.52) MMEACECPA1ACE2LTA4H
SCHEMBL23142756 0.83 MME (0.47) MMEACECPA1ACE2LTA4H
SCHEMBL22475286 0.83 MME (0.47) MMEACECPA1ACE2LTA4H
SCHEMBL291483 0.83 MME (0.47) MMEACECPA1ACE2LTA4H
SCHEMBL22342125 0.83 MME (0.47) MMEACECPA1ACE2LTA4H
SCHEMBL21030512 0.83 MME (0.47) MMEACECPA1ACE2LTA4H

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-04-27 US disclosed
US-9562069-B2 Selective caspase inhibitors and uses thereof NEW WORLD LABORATORIES INC. (CA) 2017-02-07 US disclosed
US-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2015-01-08 US disclosed
US-20130252883-A1 Macrocycles and Their Uses NOVARTIS AG (CH) 2013-09-26 US disclosed
US-8476224-B2 Macrocycles and their uses NOVARTIS AG (US) 2013-07-02 US disclosed
US-20090186830-A1 MACROCYCLES AND THEIR USES NOVARTIS AG (CH) 2009-07-23 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 (4 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-20130252883-A1 Macrocycles and Their Uses MRPL21, CLPP, MLEC MME 388/4885ACE 173/4885CPA1 2497/4885
US-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP3, CASP1, HTRA2 MME 521/4885ACE 643/4885CPA1 440/4885
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP5 MME 693/4885ACE 827/4885CPA1 651/4885
US-20090186830-A1 MACROCYCLES AND THEIR USES CYP11B2, OAT, CYP27A1 MME 1288/4885ACE 223/4885CPA1 2535/4885

“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.