SCHEMBL2606752

SCHEMBL2606752

CC(F)c1cc(=O)c(O)cn1CC1CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.38
COMT P21964 4/20 0.35
NOTUM Q6P988 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL2116308 0.88 TYR (0.36) TYRCOMTNOTUMCNR1CNR2
SCHEMBL2606805 0.80 TYR (0.46) TYRCOMT
SCHEMBL12249856 0.76 COMT (0.37) COMT
SCHEMBL2606741 0.75 TYR (0.39) TYRCOMT
SCHEMBL2115662 0.69 TYR (0.47) TYRCOMT
SCHEMBL2118259 0.66 COMT (0.33) COMT
SCHEMBL2117658 0.63 APP (0.41) TYRCOMT
SCHEMBL12949928 0.63 TYR (0.60) TYRCOMT
SCHEMBL2118143 0.63 TYR (0.37) TYRCOMT
SCHEMBL13555565 0.62 TYR (0.39) TYRCOMT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 TYR 1743/4885COMT 695/4885NOTUM 3145/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH TYR 1743/4885COMT 695/4885NOTUM 3145/4885

“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.