SCHEMBL1333292

SCHEMBL1333292

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
KMT2A Q03164 3/20 0.46
CTSK P43235 10/20 0.45
CTSS P25774 6/20 0.45
CYP2D6 P10635 1/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
PREP P48147 1/20 0.42
CA12 O43570 1/20 0.41
CA14 Q9ULX7 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
SCHEMBL7765544 0.85 CA1 (0.44) CA1CA2CA7KMT2ACTSK
SCHEMBL15947338 0.84 CA1 (0.49) CA1CA2CA7KMT2ACTSK
SCHEMBL256594 0.83 CA1 (0.52) CA1CA2CA7KMT2ACTSK
SCHEMBL148100 0.83 CA1 (0.52) CA1CA2CA7KMT2ACTSK
SCHEMBL148099 0.83 CA1 (0.52) CA1CA2CA7KMT2ACTSK
SCHEMBL17957327 0.83 CA1 (0.52) CA1CA2CA7KMT2ACTSK
SCHEMBL875372 0.82 CA1 (0.47) CA1CA2CA7KMT2ACTSK
SCHEMBL2411603 0.82 CA1 (0.47) CA1CA2CA7KMT2ACTSK
SCHEMBL2171444 0.82 CA1 (0.47) CA1CA2CA7KMT2ACTSK
Hydrochloric Acid SCHEMBL30428440 0.82 CA1 (0.50) CA1CA2CA7KMT2ACTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106117295-B Adefovir monothiol-amino acid ester mono-cholate derivative and preparation method thereof 贵州医科大学 2020-05-22 CN disclosed
US-20110282081-A1 Methods of Preparing 1-Deoxy-Sphingoid Bases and Derivatives Thereof EMORY UNIVERSITY (US) 2011-11-17 US disclosed
WO-2010085547-A2 METHODS OF PREPARING 1-DEOXY-SPHINGOID BASES AND DERIVATIVES THEREOF EMORY UNIVERSITY (US) 2010-07-29 WO disclosed
US-3997584-A Substituted glycines and intermediates thereof SMITHKLINE CORPORATION (US) 1976-12-14 US disclosed
US-3994954-A Process for preparing substituted glycines SMITHKLINE CORPORATION (US) 1976-11-30 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-20110282081-A1 Methods of Preparing 1-Deoxy-Sphingoid Bases and Derivatives Thereof DEGS1, SPHK1, SPHK2 CA1 1708/4885CA2 3287/4885CA7 2209/4885

“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.