SCHEMBL1333290

SCHEMBL1333290

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 2/20 0.43
CTSK P43235 8/20 0.42
CTSS P25774 4/20 0.42
CA12 O43570 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
GLA P06280 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
GLS O94925 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL8098563 1.00 CA1 (0.50) CA1CA2CA7CYP2D6KMT2A
SCHEMBL7765532 0.86 CA1 (0.46) CA1CA2CA7CYP2D6KMT2A
SCHEMBL20254237 0.84 CA1 (0.47) CA1CA2CA7CYP2D6KMT2A
SCHEMBL20254210 0.84 CA1 (0.47) CA1CA2CA7CYP2D6KMT2A
SCHEMBL23607312 0.81 CA1 (0.52) CA1CA2CA7CYP2D6KMT2A
SCHEMBL1563568 0.81 CA1 (0.52) CA1CA2CA7CYP2D6KMT2A
SCHEMBL148100 0.81 CA1 (0.52) CA1CA2CA7CYP2D6KMT2A
SCHEMBL148099 0.81 CA1 (0.52) CA1CA2CA7CYP2D6KMT2A
SCHEMBL23849248 0.81 CA1 (0.52) CA1CA2CA7CYP2D6KMT2A
SCHEMBL1369240 0.81 CA1 (0.52) CA1CA2CA7CYP2D6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112430243-B Method for preparing thioester compound 江西师范大学 2023-03-21 CN disclosed
CN-112430243-A Method for preparing thioester compound 江西师范大学 2021-03-02 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

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.