SCHEMBL13402829

SCHEMBL13402829

CCSSc1ccccc1OC(=O)CC

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.45
ELANE P08246 1/20 0.41
ALOX15 P16050 1/20 0.39
ESR1 P03372 1/20 0.38
HIF1A Q16665 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL9445687 0.90 PTGS2 (0.50) PTGS2ELANEALOX15ESR1HIF1A
SCHEMBL13402149 0.85 PTGS2 (0.62) PTGS2
SCHEMBL13402552 0.85 PTGS2 (0.45) PTGS2
SCHEMBL13402243 0.84 PTGS2 (0.43) PTGS2ELANEALOX15
SCHEMBL13402185 0.82 PTGS2 (0.41) PTGS2
SCHEMBL18211363 0.81 ELANE (0.51) PTGS2ELANEHIF1A
SCHEMBL16326726 0.80 PTGS2 (0.40) PTGS2
SCHEMBL8039889 0.79 PTGS2 (0.50) PTGS2ELANE
SCHEMBL8435546 0.78 ALOX15 (0.55) ELANEALOX15ESR1HIF1AACHE
SCHEMBL13594063 0.77 ALPI (0.44) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081786-A1 Homogeneous Erythropoietin and Other Peptides and Proteins, Methods and Intermediates for Their Preparation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-01 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-20100081786-A1 Homogeneous Erythropoietin and Other Peptides and Proteins, Methods and Intermediates for Their Preparation EPOR, LIFR, LNPEP PTGS2 2438/4885ELANE 783/4885ALOX15 2235/4885

“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.