SCHEMBL3338994

SCHEMBL3338994

CCOC(=O)c1coc(=O)c2ccc(S(C)(=O)=O)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.46
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAOA P21397 2/20 0.39
MIF P14174 1/20 0.39
PFKFB3 Q16875 1/20 0.39
CA12 O43570 4/20 0.39
CA9 Q16790 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA1 P00915 2/20 0.39
CA4 P22748 2/20 0.39
CA5B Q9Y2D0 2/20 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
SCHEMBL2923905 0.85 PTGS2 (0.39) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL11274585 0.79 MAOB (0.65) MAOBKDM4EALDH1A1MAPTTSHR
SCHEMBL28526673 0.75 TSHR (0.49) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL6827036 0.74 CA12 (0.64) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL30294881 0.72 KDM4E (0.47) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL28519051 0.72 CA1 (0.50) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL8492583 0.72 ALDH1A1 (0.55) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL22852765 0.72 KDM4E (0.47) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL8489438 0.72 ALDH1A1 (0.50) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL3999766 0.71 LMNA (0.46) KDM4EALDH1A1LMNAL3MBTL1TSHR

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-7709500-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20050107428-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-05-19 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-20050107428-A1 Chemical compounds CCR10, CCR3, CXCR5 MAOB 2058/4885KDM4E 1685/4885ALDH1A1 3120/4885

“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.