SCHEMBL2116953

SCHEMBL2116953

O=c1cc(C(F)F)[nH]cc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
NSD2 O96028 1/20 0.42
ABL1 P00519 1/20 0.42
PPARG P37231 1/20 0.42
RIN1 Q13671 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
POLB P06746 1/20 0.40
GSTP1 P09211 1/20 0.40
IP6K1 Q92551 1/20 0.39
LTA4H P09960 2/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PLA2G2A P14555 1/20 0.39
KMT2A Q03164 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
MAOB P27338 3/20 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
SCHEMBL9651771 0.81 TDP1 (0.40) L3MBTL1NSD2ABL1PPARGRIN1
SCHEMBL2116326 0.79 L3MBTL1 (0.54) L3MBTL1NSD2ABL1PPARGRIN1
SCHEMBL2492367 0.75 SRD5A2 (0.52) L3MBTL1NSD2ABL1PPARGRIN1
SCHEMBL71120 0.75 GSTP1 (0.44) L3MBTL1NSD2ABL1PPARGRIN1
SCHEMBL9785325 0.75 L3MBTL1 (0.43) L3MBTL1NSD2ABL1PPARGRIN1
SCHEMBL9653085 0.75 LOXL2 (0.48) L3MBTL1NSD2ABL1PPARGRIN1
SCHEMBL9012908 0.75 L3MBTL1 (0.43) L3MBTL1NSD2ABL1PPARGRIN1
Hydrochloric Acid SCHEMBL10894906 0.74 L3MBTL1 (0.42) L3MBTL1NSD2ABL1PPARGRIN1
SCHEMBL9013176 0.74 MAPK14 (0.44) L3MBTL1NSD2ABL1PPARGRIN1
SCHEMBL10371822 0.73 PARP10 (0.46) L3MBTL1NSD2ABL1PPARGRIN1

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 L3MBTL1 3150/4885NSD2 2425/4885ABL1 1849/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH L3MBTL1 3150/4885NSD2 2425/4885ABL1 1849/4885

“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.