SCHEMBL2116171

SCHEMBL2116171

CC(O)c1oc(C(F)F)cc(=O)c1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
GAA P10253 1/20 0.43
GLRA1 P23415 2/20 0.42
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CREB1 P16220 1/20 0.40
POLB P06746 1/20 0.40
IDH1 O75874 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 4/20 0.38
ACHE P22303 1/20 0.38
MAOA P21397 2/20 0.37

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
SCHEMBL6991017 0.84 IDH1 (0.55) LMNAGAAGLRA1HPGDALDH1A1
SCHEMBL2116333 0.81 LMNA (0.44) LMNAGAAGLRA1HPGDALDH1A1
SCHEMBL2116063 0.77 IDH1 (0.53) LMNAGAAGLRA1HPGDALDH1A1
SCHEMBL6991035 0.76 LMNA (0.65) LMNAGAAGLRA1HPGDALDH1A1
SCHEMBL2118719 0.75 GLRA1 (0.41) LMNAGAAGLRA1HPGDALDH1A1
SCHEMBL2116142 0.72 IDH1 (0.51) LMNAGAAGLRA1HPGDALDH1A1
SCHEMBL6998735 0.72 IDH1 (0.53) LMNAGAAGLRA1HPGDALDH1A1
SCHEMBL23512777 0.70 LMNA (0.57) LMNAGAAGLRA1HPGDALDH1A1
SCHEMBL6998848 0.70 IDH1 (0.54) LMNAGAAGLRA1HPGDALDH1A1
SCHEMBL24038839 0.69 NPC1 (0.50) LMNAGAAHPGDALDH1A1HTT

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 LMNA 2643/4885GAA 212/4885GLRA1 2106/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH LMNA 2643/4885GAA 212/4885GLRA1 2106/4885

“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.