SCHEMBL2118165

SCHEMBL2118165

Cc1[nH]cc(CC(F)(F)F)c(=O)c1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 2/20 0.38
DPYD Q12882 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
NSD2 O96028 1/20 0.36
ABL1 P00519 1/20 0.36
PPARG P37231 1/20 0.36
RIN1 Q13671 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 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
SCHEMBL15324624 0.77 POLB (0.58) POLBLMNAGAASMN1; SMN2ALDH1A1
SCHEMBL2118894 0.77 POLB (0.49) POLBLMNAGAASMN1; SMN2ALDH1A1
SCHEMBL2117394 0.77 POLB (0.49) POLBLMNAGAASMN1; SMN2ALDH1A1
SCHEMBL2116005 0.76 SMN1; SMN2 (0.42) POLBLMNAGAASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL2116938 0.76 POLB (0.48) POLBLMNAGAASMN1; SMN2ALDH1A1
SCHEMBL4470489 0.72 PTGER4 (0.53) POLBLMNAGAASMN1; SMN2L3MBTL1
SCHEMBL18107014 0.72 POLB (0.44) POLBLMNAGAASMN1; SMN2ALDH1A1
SCHEMBL18107018 0.71 POLB (0.63) POLBLMNAGAASMN1; SMN2ALDH1A1
SCHEMBL427884 0.71 GABRA1 (0.54) POLBSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL13386422 0.70 POLB (0.56) POLBLMNASMN1; SMN2ALDH1A1MEN1

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 4566/4885LMNA 2643/4885GAA 212/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH POLB 4566/4885LMNA 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.