SCHEMBL2116130

SCHEMBL2116130

CC(O)c1oc(C(F)F)cc(=O)c1O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 5/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
TEAD4 Q15561 3/20 0.33
RNASEH1 O60930 1/20 0.33
RXRA P19793 1/20 0.33
EGFR P00533 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
STAT3 P40763 1/20 0.32
EYA3 Q99504 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GLA P06280 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
SCHEMBL6991694 0.78 IDH1 (0.45) GAAKDM4EHSD17B10ALOX15TEAD4
SCHEMBL8274787 0.64 IDH1 (0.46) GAAKDM4EHSD17B10ALOX15TEAD4
SCHEMBL6999429 0.64 KDM4E (0.53) KDM4ETEAD4RNASEH1EGFRCDK4
SCHEMBL2606810 0.62 IDH1 (0.41) GAAKDM4EHSD17B10ALOX15TEAD4
SCHEMBL2117322 0.62 IDH1 (0.41) GAAKDM4EHSD17B10ALOX15POLB
SCHEMBL15578472 0.62 IDH1 (0.44) GAAHPGDKDM4EHSD17B10ALOX15
SCHEMBL2119669 0.62 COMT (0.34) RNASEH1
SCHEMBL8270272 0.62 RNASEH1 (0.46) GAAALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6991564 0.60 IDH1 (0.45) GAAHPGDKDM4EHSD17B10ALOX15
SCHEMBL10904345 0.60 TEAD4 (0.44) GAAALDH1A1KDM4ETEAD4RNASEH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134688-B1 FLUORINATED DERIVATIVES OF DEFERIPRONE APOTEX TECHNOLOGIES INC (CA) 2016-10-05 EP disclosed
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
EP-2134688-A1 FLUORINATED DERIVATIVES OF DEFERIPRONE Apotex Technologies Inc. (CA) 2009-12-23 EP disclosed
WO-2008116301-A1 FLUORINATED DERIVATIVES OF DEFERIPRONE APOTEX TECHNOLOGIES INC. (CA) 2008-10-02 WO 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 GAA 212/4885ALDH1A1 631/4885HPGD 838/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH GAA 212/4885ALDH1A1 631/4885HPGD 838/4885

“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.