SCHEMBL2115801

SCHEMBL2115801

Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.51
SRD5A1 P18405 1/20 0.51
PTGER1 P34995 1/20 0.45
BRD4 O60885 4/20 0.44
FOLH1 Q04609 1/20 0.44
MCL1 Q07820 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
RXRA P19793 2/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL12968954 0.87 RAB9A (0.50) SRD5A2SRD5A1PTGER1MEN1KMT2A
SCHEMBL9662923 0.86 SRD5A2 (0.47) SRD5A2SRD5A1PTGER1FOLH1MCL1
SCHEMBL29067974 0.84 SRD5A2 (0.47) SRD5A2SRD5A1PTGER1BRD4FOLH1
SCHEMBL10670296 0.82 MAPK14 (0.49) SRD5A2SRD5A1PTGER1FOLH1MEN1
SCHEMBL14124908 0.82 FOLH1 (0.46) SRD5A2SRD5A1PTGER1FOLH1MCL1
SCHEMBL16744408 0.81 MAPT (0.47) BRD4MEN1KMT2AFFAR4
SCHEMBL13555553 0.81 BRD4 (0.44) BRD4
SCHEMBL988041 0.78 MRGPRX4 (0.42) SRD5A2SRD5A1PTGER1FOLH1MEN1
SCHEMBL12949558 0.78 MRGPRX4 (0.41) SRD5A2SRD5A1PTGER1BRD4FOLH1
SCHEMBL2118516 0.78 MAPT (0.41) BRD4

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 SRD5A2 1145/4885SRD5A1 973/4885PTGER1 3083/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH SRD5A2 1145/4885SRD5A1 973/4885PTGER1 3083/4885

“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.