SCHEMBL1669007

SCHEMBL1669007

CC(C)(C)OC(=O)N[C@@H](CCCCI)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.50
CTSS P25774 5/20 0.50
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PPARA Q07869 3/20 0.43
PPARG P37231 2/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
ACE P12821 1/20 0.42
PPARD Q03181 1/20 0.41

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
SCHEMBL1669009 1.00 CTSK (0.50) CTSKCTSSALDH1A1TSHRMEN1
SCHEMBL7430204 0.97 CTSK (0.52) CTSKCTSSALDH1A1TSHRMEN1
SCHEMBL4981804 0.97 CTSK (0.52) CTSKCTSSALDH1A1TSHRMEN1
SCHEMBL4981797 0.97 CTSK (0.52) CTSKCTSSALDH1A1TSHRMEN1
SCHEMBL14150791 0.92 CTSK (0.56) CTSKCTSSALDH1A1TSHRMEN1
SCHEMBL6745774 0.92 CTSK (0.56) CTSKCTSSALDH1A1TSHRMEN1
SCHEMBL346192 0.89 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL21409086 0.89 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL9753568 0.89 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL6837916 0.89 CTSK (0.56) CTSKCTSSALDH1A1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921571-B2 Pyrrolysine analogs THE OHIO STATE UNIVERSITY (US) 2014-12-30 US disclosed
US-20130035478-A1 PYRROLYSINE ANALOGS THE OHIO STATE UNIVERSITY (US) 2013-02-07 US disclosed
WO-2011044255-A1 PYRROLYSINE ANALOGS THE OHIO STATE UNIVERSITY (US) 2011-04-14 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-20130035478-A1 PYRROLYSINE ANALOGS UROD, ALDH18A1, HMBS CTSK 1285/4885CTSS 1403/4885ALDH1A1 2389/4885

“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.