SCHEMBL13609307

SCHEMBL13609307

CCC1(CC)COC2(CCN(S(=O)(=O)N(C)C)CC2)O1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL2079170 0.74 GAA (0.50) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL13609310 0.71
SCHEMBL13609319 0.70 GRIN2D (0.32)
SCHEMBL13608965 0.69
SCHEMBL13609306 0.69 CYP2D6 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL13609224 0.68
SCHEMBL13609309 0.68
SCHEMBL13609313 0.67
SCHEMBL13608964 0.67
SCHEMBL13608953 0.66

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-20090291923-A1 TRIOXANE DIMERS HAVING HIGH ANTICANCER AND LONG-LASTING ANTIMALARIAL ACTIVITIES JOHNS HOPKINS UNIVERSOTY (US) 2009-11-26 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-20090291923-A1 TRIOXANE DIMERS HAVING HIGH ANTICANCER AND LONG-LASTING ANTIMALARIAL ACTIVITIES HCCS, XPO5, DHX15 GAA 3851/4885ALDH1A1 4123/4885MEN1 1372/4885

“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.