SCHEMBL990461

SCHEMBL990461

Cc1cc(=O)c(O)c(CO)n1CC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MAOB P27338 3/20 0.36
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
MAOA P21397 1/20 0.34
AR P10275 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.30
CRHR1 P34998 1/20 0.30

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
SCHEMBL13555517 0.88 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19RAB9ANPC1
SCHEMBL17124327 0.86 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19RAB9ANPC1
Hydrochloric Acid SCHEMBL13386361 0.85 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C19RAB9ANPC1
SCHEMBL7546969 0.80 POLB (0.49) RAB9AMAOBALDH1A1LMNAMAOA
SCHEMBL17128901 0.79 MAOB (0.41) CYP2C19RAB9AMAOBALDH1A1SMN1; SMN2
SCHEMBL12949658 0.79 CRHR1 (0.40) CYP1A2CYP3A4CYP2C19ALDH1A1POLB
Hydrochloric Acid SCHEMBL6993015 0.79 POLB (0.47) RAB9AMAOBALDH1A1LMNAMAOA
SCHEMBL18662703 0.77 CRHR1 (0.41) CYP3A4CYP2C19ALDH1A1POLBGAA
SCHEMBL7554482 0.73 MMP1 (0.40) CYP2C19MAOBMAOAPOLBTYR
Hydrochloric Acid SCHEMBL6989988 0.71 MMP1 (0.39) CYP2C19MAOBMAOAPOLBTYR

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938240-B2 Fluorinated derivatives of 3-hydroxypyridin-4-ones APOTEX INC. (CA) 2018-04-10 US disclosed
US-9938240-B2 Fluorinated derivatives of 3-hydroxypyridin-4-ones APOTEX INC. (CA) 2018-04-10 US disclosed
US-9938240-B2 Fluorinated derivatives of 3-hydroxypyridin-4-ones APOTEX INC. (CA) 2018-04-10 US disclosed
US-20170247329-A1 \"Fluorinated Derivatives of 3-Hydroxypyridin-4-Ones\ APOTEX TECHNOLOGIES INC. (CA) 2017-08-31 US disclosed
US-20170247329-A1 \"Fluorinated Derivatives of 3-Hydroxypyridin-4-Ones\ APOTEX TECHNOLOGIES INC. (CA) 2017-08-31 US disclosed
US-20170247329-A1 \"Fluorinated Derivatives of 3-Hydroxypyridin-4-Ones\ APOTEX TECHNOLOGIES INC. (CA) 2017-08-31 US disclosed
US-20170088518-A1 Fluorinated Derivatives of 3-Hydroxypyridin-4-Ones THE BANK OF NOVA SCOTIA (CA) 2017-03-30 US disclosed
US-20170088518-A1 Fluorinated Derivatives of 3-Hydroxypyridin-4-Ones THE BANK OF NOVA SCOTIA (CA) 2017-03-30 US disclosed
US-20170088518-A1 Fluorinated Derivatives of 3-Hydroxypyridin-4-Ones THE BANK OF NOVA SCOTIA (CA) 2017-03-30 US disclosed
US-9550733-B2 Fluorinated derivatives of 3-hydroxypyridin-4-ones APOTEX TECHNOLOGIES INC. (CA) 2017-01-24 US disclosed
US-20150274665-A1 FLUORINATED DERIVATIVES OF 3-HYDROXYPYRIDIN-4-ONES FLORIDA TURBINE TECHNOLOGIES, INC. 2015-10-01 US disclosed
US-9073865-B2 Fluorinated derivates of 3-hydroxypyridin-4-ones APOTEX TECHNOLOGIES INC. (CA) 2015-07-07 US disclosed
US-9073865-B2 Fluorinated derivates of 3-hydroxypyridin-4-ones APOTEX TECHNOLOGIES INC. (CA) 2015-07-07 US disclosed
US-9073865-B2 Fluorinated derivates of 3-hydroxypyridin-4-ones APOTEX TECHNOLOGIES INC. (CA) 2015-07-07 US disclosed
EP-2448922-B1 FLUORINATED DERIVATIVES OF 3-HYDROXYPYRIDIN-4-ONES APOTEX TECHNOLOGIES INC (CA) 2014-08-20 EP disclosed
EP-2448922-B1 FLUORINATED DERIVATIVES OF 3-HYDROXYPYRIDIN-4-ONES APOTEX TECHNOLOGIES INC (CA) 2014-08-20 EP disclosed
US-20120270882-A1 FLUORINATED DERIVATES OF 3-HYDROXYPYRIDIN-4-ONES APOTEX TECHNOLOGIES INC. (CA) 2012-10-25 US disclosed
EP-2448922-A1 FLUORINATED DERIVATIVES OF 3-HYDROXYPYRIDIN-4-ONES Apotex Technologies Inc. (CA) 2012-05-09 EP disclosed
WO-2011000104-A1 FLUORINATED DERIVATIVES OF 3-HYDROXYPYRIDIN-4-ONES APOTEX TECHNOLOGIES INC. (CA) 2011-01-06 WO disclosed
WO-2011000104-A1 FLUORINATED DERIVATIVES OF 3-HYDROXYPYRIDIN-4-ONES APOTEX TECHNOLOGIES INC. (CA) 2011-01-06 WO 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 (4 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-20120270882-A1 FLUORINATED DERIVATES OF 3-HYDROXYPYRIDIN-4-ONES FH, FECH, FTH1 CYP1A2 199/4885CYP3A4 310/4885CYP2C19 64/4885
US-20170088518-A1 Fluorinated Derivatives of 3-Hydroxypyridin-4-Ones FH, FECH, FPGS CYP1A2 303/4885CYP3A4 420/4885CYP2C19 109/4885
US-20170247329-A1 \"Fluorinated Derivatives of 3-Hydroxypyridin-4-Ones\ FH, FECH, FPGS CYP1A2 307/4885CYP3A4 488/4885CYP2C19 114/4885
US-20150274665-A1 FLUORINATED DERIVATIVES OF 3-HYDROXYPYRIDIN-4-ONES FH, FECH, TFRC CYP1A2 253/4885CYP3A4 405/4885CYP2C19 80/4885

“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.