SCHEMBL15134282

SCHEMBL15134282

CCOC(=S)SC(C)C(=O)OCC(COC(=O)C(C)SC(=S)OCC)(COC(=O)C(C)SC(=S)OCC)COC(=O)C(C)SC(=S)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CYP2D6 P10635 1/20 0.41
MMP8 P22894 1/20 0.33
MAPT P10636 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL238094 0.87 ALDH1A1 (0.47) ALDH1A1CYP2D6MAPTHDAC3HDAC4
SCHEMBL15134355 0.84 ALDH1A1 (0.36) ALDH1A1CYP2D6
SCHEMBL10063796 0.84 ALDH1A1 (0.44) ALDH1A1CYP2D6MAPTHDAC3HDAC4
SCHEMBL12308922 0.84 ALDH1A1 (0.44) ALDH1A1CYP2D6MAPTHDAC3HDAC4
SCHEMBL866981 0.80 ALDH1A1 (0.44) ALDH1A1CYP2D6MAPTHDAC3HDAC4
SCHEMBL12222648 0.79 ALDH1A1 (0.41) ALDH1A1CYP2D6MAPT
SCHEMBL12087618 0.79 ALDH1A1 (0.41) ALDH1A1CYP2D6MAPTHDAC3HDAC4
SCHEMBL17212355 0.78 ALDH1A1 (0.46) ALDH1A1CYP2D6MAPTHDAC3HDAC4
SCHEMBL264599 0.78 ALDH1A1 (0.50) ALDH1A1CYP2D6MAPTHDAC3HDAC4
SCHEMBL12254969 0.78 ALDH1A1 (0.40) ALDH1A1CYP2D6MAPTHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802235-B2 Drug and imaging agent delivery compositions and methods UNIVERSITY OF KANSAS (US) 2014-08-12 US disclosed
US-20130189519-A1 Drug and Imaging Agent Delivery Compositions and Methods UNIVERSITY OF KANSAS (US) 2013-07-25 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-20130189519-A1 Drug and Imaging Agent Delivery Compositions and Methods STARD10, STARD7, CASP10 ALDH1A1 3779/4885CYP2D6 192/4885MMP8 262/4885

“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.