SCHEMBL2116142

SCHEMBL2116142

Cc1cc(=O)c(OCc2ccccc2)c(C(O)C(F)(F)F)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.51
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.41
CREB1 P16220 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 2/20 0.38
PKM P14618 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
GLRA1 P23415 1/20 0.38
MAOB P27338 4/20 0.38
ACHE P22303 1/20 0.38
AR P10275 1/20 0.37
L3MBTL1 Q9Y468 1/20 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 0.85 IDH1 (0.55) IDH1LMNAGAAPOLBCREB1
SCHEMBL2116063 0.83 IDH1 (0.53) IDH1LMNAGAAPOLBCREB1
SCHEMBL6998735 0.82 IDH1 (0.53) IDH1LMNAGAAPOLBCREB1
SCHEMBL6998848 0.79 IDH1 (0.54) IDH1LMNAGAAPOLBCREB1
SCHEMBL15910022 0.77 LMNA (0.61) IDH1LMNAGAAPOLBCREB1
SCHEMBL2117785 0.77 MEN1 (0.48) LMNAGAAPOLBALDH1A1SMN1; SMN2
SCHEMBL6992984 0.77 IDH1 (0.49) IDH1LMNAGAAPOLBCREB1
SCHEMBL6996701 0.77 IDH1 (0.49) IDH1LMNAGAAPOLBCREB1
SCHEMBL2117763 0.76 MEN1 (0.41) LMNAGAAPOLBALDH1A1SMN1; SMN2
SCHEMBL338697 0.76 IDH1 (0.50) IDH1LMNAGAAPOLBCREB1

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 IDH1 239/4885LMNA 2643/4885GAA 212/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH IDH1 239/4885LMNA 2643/4885GAA 212/4885

“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.