SCHEMBL2606779

SCHEMBL2606779

CC(C)c1c(O)c(=O)cc(C(F)F)n1C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.36
COMT P21964 1/20 0.33
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL2119669 0.88 COMT (0.34) RNASEH1COMT
SCHEMBL2118094 0.79 KDM4E (0.40) RNASEH1COMTKDM4EALDH1A1
SCHEMBL2116007 0.75 TYR (0.33) COMTKDM4E
SCHEMBL2606743 0.71 MMP1 (0.36) RNASEH1COMTKDM4EALDH1A1
SCHEMBL2117253 0.71 MMP1 (0.36) COMTKDM4EALDH1A1
SCHEMBL2117658 0.66 APP (0.41) COMT
SCHEMBL4756043 0.64 MMP1 (0.36) RNASEH1COMTKDM4EALDH1A1
SCHEMBL2608128 0.62 MMP1 (0.37) COMTKDM4EALDH1A1
SCHEMBL2115420 0.62 KDM4E (0.55) COMTKDM4E
SCHEMBL23513059 0.62 RNASEH1 (0.39) RNASEH1COMTKDM4EALDH1A1TDP1

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
US-8673943-B2 Fluorinated derivatives of deferiprone APOTEX TECHNOLOGIES INC. (CA) 2014-03-18 US disclosed
US-20120095061-A1 Fluorinated Derivatives of Deferiprone APOTEX TECHNOLOGIES INC. (CA) 2012-04-19 US disclosed
US-8026261-B2 neurodegenerative diseases; to remove free iron or iron accumulation in neural tissues; iron chelators; improved chemical stability, penetration through blood brain barrier; reacting 3-hydroxy-4-pyridinone/3-hydroxy-4-pyranone derivatives; 1-cyclopropyl-2-difluoromethyl-5-hydroxy-1H-pyridin-4-one APOTEX TECHNOLOGIES INC. (CA) 2011-09-27 US disclosed
US-20080242706-A1 Fluorinated derivatives of deferiprone APOTEX TECHNOLOGIES INC. 2008-10-02 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 (2 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-20080242706-A1 Fluorinated derivatives of deferiprone SLC40A1, TFRC, FECH RNASEH1 2182/4885COMT 695/4885KDM4E 946/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH RNASEH1 2182/4885COMT 695/4885KDM4E 946/4885

“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.