SCHEMBL13259709

SCHEMBL13259709

CC(C)(C)OC(=O)NC(C(=O)N1CC(O)CC1C(=O)O)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
BTK Q06187 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ELANE P08246 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
CTSL P07711 1/20 0.38
MME P08473 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ACE P12821 1/20 0.37
GAA P10253 1/20 0.36
ITGB3 P05106 4/20 0.35
ITGA2B P08514 4/20 0.35

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
SCHEMBL8063520 1.00 ATM (0.45) ATMBTKALDH1A1ELANEHDAC4
SCHEMBL34472136 0.94 ATM (0.48) ATMBTKELANEAAK1CTSL
SCHEMBL13259710 0.90 ALDH1A1 (0.54) BTKALDH1A1ELANEHDAC4HDAC1
SCHEMBL1163648 0.87 BTK (0.37) BTKALDH1A1ELANEHDAC4HDAC1
SCHEMBL28581481 0.83 ACE (0.43) BTKHDAC4HDAC1HDAC6AAK1
SCHEMBL28581483 0.83 ACE (0.43) BTKHDAC4HDAC1HDAC6AAK1
SCHEMBL7449876 0.83 ACE (0.43) BTKHDAC4HDAC1HDAC6AAK1
SCHEMBL13285546 0.83 ATM (0.47) ATMALDH1A1MMEACE
SCHEMBL30856518 0.83 ATM (0.51) ATMBTKELANEACE
SCHEMBL8064392 0.83 ATM (0.46) ATMALDH1A1ELANEHDAC4HDAC1

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 10 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-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-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
US-20130303435-A1 Smart Pro-Drugs of Serine Protease Inhibitors BACH BIOSCIENCES, LLC 2013-11-14 US 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

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 ATM 2292/4885BTK 4025/4885ALDH1A1 3107/4885
US-20170226155-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC ATM 2292/4885BTK 4025/4885ALDH1A1 3107/4885
US-20100168032-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC ATM 2292/4885BTK 4025/4885ALDH1A1 3107/4885

“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.