SCHEMBL8611981

SCHEMBL8611981

CC(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.49
KMT2A Q03164 1/20 0.48
REN P00797 4/20 0.47
KDM4E B2RXH2 1/20 0.47
F2 P00734 1/20 0.47
LMNA P02545 1/20 0.47
LTA4H P09960 1/20 0.47
MAPT P10636 1/20 0.47
PEPD P12955 1/20 0.47
ALOX15 P16050 1/20 0.47
PTGS1 P23219 1/20 0.47
HTR2A P28223 1/20 0.47
PTGS2 P35354 1/20 0.47
HRH1 P35367 1/20 0.47
THPO P40225 1/20 0.47
PMP22 Q01453 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
CMA1 P23946 2/20 0.47
KLK5 Q9Y337 1/20 0.43

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
SCHEMBL10297415 1.00 ACE (0.49) ACEKMT2ARENKDM4EF2
SCHEMBL10297420 1.00 ACE (0.49) ACEKMT2ARENKDM4EF2
SCHEMBL8054270 1.00 ACE (0.49) ACEKMT2ARENKDM4EF2
SCHEMBL17348387 0.95 ACE (0.53) ACEKMT2ARENKDM4EF2
SCHEMBL6242739 0.95 ACE (0.53) ACEKMT2ARENKDM4EF2
SCHEMBL13950858 0.95 ACE (0.53) ACEKMT2ARENKDM4EF2
SCHEMBL2262901 0.95 ACE (0.53) ACEKMT2ARENKDM4EF2
SCHEMBL16000759 0.95 ACE (0.53) ACEKMT2ARENKDM4EF2
SCHEMBL10653958 0.90 ACE (0.49) ACEKMT2ARENKDM4EF2
SCHEMBL29787416 0.90 CMA1 (0.53) ACERENKDM4EF2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226155-A1 Smart Pro-Drugs of Serine Protease Inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2017-08-10 US disclosed
US-9629921-B2 Smart pro-drugs of serine protease inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2017-04-25 US disclosed
US-20130303435-A1 Smart Pro-Drugs of Serine Protease Inhibitors BACH BIOSCIENCES, LLC 2013-11-14 US disclosed
EP-2319523-A1 Serine protease inhibitors Trustees Of Tufts College (US) 2011-05-11 EP disclosed
EP-2204181-A2 Protease inhibitors Trustees of Tufts College (US) 2010-07-07 EP disclosed
US-20100168032-A1 Smart Pro-Drugs of Serine Protease Inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2010-07-01 US disclosed
US-20100168032-A1 Smart Pro-Drugs of Serine Protease Inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2010-07-01 US disclosed
US-7691967-B2 Smart pro-drugs of serine protease inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2010-04-06 US disclosed
EP-0693080-B1 NEW GLUCOCORTICOIDS SCHERING AG (DE) 1998-04-22 EP disclosed
US-5616573-A Glucocorticoids SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-01 US disclosed
EP-0693080-A1 NEW GLUCOCORTICOIDS SCHERING AKTIENGESELLSCHAFT (DE) 1996-01-24 EP disclosed
WO-1994022898-A1 NEW GLUCOCORTICOIDS SCHERING AKTIENGESELLSCHAFT (DE) 1994-10-13 WO disclosed
US-4029772-A FOR TREATMENT OF PANCREATITIS MERCK & CO., INC. (US) 1977-06-14 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 (3 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-20130303435-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC ACE 49/4885KMT2A 4250/4885REN 482/4885
US-20170226155-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC ACE 49/4885KMT2A 4250/4885REN 482/4885
US-20100168032-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC ACE 49/4885KMT2A 4250/4885REN 482/4885

“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.