SCHEMBL2118719

SCHEMBL2118719

CC(O)c1c(OCc2ccccc2)c(=O)cc(C(F)F)n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 2/20 0.41
HPGD P15428 3/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NPC1 O15118 1/20 0.36
SRD5A2 P31213 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GSTP1 P09211 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL2117359 0.81 HPGD (0.40) GLRA1HPGDLMNAHTTALDH1A1
SCHEMBL2116203 0.80 SMN1; SMN2 (0.40) GLRA1HPGDLMNAHTTALDH1A1
SCHEMBL2118507 0.79 MEN1 (0.44) GLRA1HPGDLMNAHTTALDH1A1
SCHEMBL2116171 0.75 LMNA (0.43) GLRA1HPGDLMNAHTTALDH1A1
SCHEMBL2117763 0.74 MEN1 (0.41) GLRA1HPGDLMNAHTTALDH1A1
SCHEMBL2117785 0.72 MEN1 (0.48) GLRA1HPGDLMNAHTTALDH1A1
SCHEMBL7548990 0.72 MEN1 (0.42) GLRA1HPGDLMNAHTTALDH1A1
Hydrochloric Acid SCHEMBL6995993 0.71 MEN1 (0.41) GLRA1HPGDLMNAHTTALDH1A1
SCHEMBL2115666 0.71 MEN1 (0.38) GLRA1HPGDLMNAHTTALDH1A1
SCHEMBL2118516 0.70 MAPT (0.41) ALDH1A1MAPK1PKMMAOAMAOB

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 GLRA1 2106/4885HPGD 838/4885LMNA 2643/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH GLRA1 2106/4885HPGD 838/4885LMNA 2643/4885

“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.