Sugi Predict

Sugi Predict / Compounds / SCHEMBL2117359

SCHEMBL2117359

SCHEMBL2117359

Cn1c(C(F)F)cc(=O)c(OCc2ccccc2)c1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SRD5A2 P31213 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ GLRA1 P23415 2/20 0.39
▸ GSTP1 P09211 1/20 0.39
▸ PKM P14618 2/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ SRD5A1 P18405 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RHEB Q15382 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ATP4A P20648 1/20 0.36

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
SCHEMBL2116203 0.89 SMN1; SMN2 (0.40) HPGDSMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL2115666 0.86 MEN1 (0.38) HPGDSMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL15486359 0.83 MEN1 (0.45) HPGDSMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL2118719 0.81 GLRA1 (0.41) HPGDSMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL2115721 0.80 MEN1 (0.39) HPGDSMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL2118707 0.75 MEN1 (0.40) HPGDSMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL2118507 0.74 MEN1 (0.44) HPGDSMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL28954559 0.74 SMN1; SMN2 (0.41) HPGDSMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL28592236 0.74 TSHR (0.44) HPGDSMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL28954580 0.73 SMN1; SMN2 (0.43) HPGDSMN1; SMN2HTTMEN1ALDH1A1

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 5 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
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 HPGD 838/4885SMN1; SMN2 72/4885HTT 140/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH HPGD 838/4885SMN1; SMN2 72/4885HTT 140/4885

“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.