SCHEMBL2116164

SCHEMBL2116164

Cc1cc(=O)c(OCc2ccccc2)c(C(OS(C)(=O)=O)C(F)(F)F)n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
ALDH1A1 P00352 7/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 3/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 6/20 0.35
TSHR P16473 2/20 0.34
CLK4 Q9HAZ1 1/20 0.34
HSD17B10 Q99714 3/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL2120152 0.83 SMN1; SMN2 (0.43) POLBALDH1A1MEN1KMT2ANPC1
SCHEMBL2117763 0.81 MEN1 (0.41) POLBALDH1A1MEN1KMT2ANPC1
SCHEMBL2118507 0.80 MEN1 (0.44) POLBALDH1A1MEN1KMT2ANPC1
SCHEMBL7548990 0.75 MEN1 (0.42) POLBALDH1A1MEN1KMT2ANPC1
SCHEMBL2117411 0.74 BRD4 (0.38) ALDH1A1HSD17B10MAPK14
Hydrochloric Acid SCHEMBL6995993 0.74 MEN1 (0.41) POLBALDH1A1MEN1KMT2ANPC1
SCHEMBL6994353 0.73 MEN1 (0.41) POLBALDH1A1MEN1KMT2ANPC1
SCHEMBL7548107 0.71 MEN1 (0.45) POLBALDH1A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL6990702 0.70 MEN1 (0.44) POLBALDH1A1MEN1KMT2ANPC1
SCHEMBL2117785 0.69 MEN1 (0.48) POLBALDH1A1MEN1KMT2ANPC1

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 POLB 4566/4885ALDH1A1 631/4885MEN1 1589/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH POLB 4566/4885ALDH1A1 631/4885MEN1 1589/4885

“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.