Sugi Predict

Sugi Predict / Compounds / SCHEMBL987713

SCHEMBL987713

SCHEMBL987713

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDK3 Q15120 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ BRD4 O60885 4/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPK14 Q16539 1/20 0.37
▸ PTGER1 P34995 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ SMPD1 P17405 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ LIPE Q05469 1/20 0.37
▸ SRD5A1 P18405 1/20 0.37
▸ SRD5A2 P31213 1/20 0.37

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
SCHEMBL2115619 0.78 SRD5A1 (0.39) RXRARXRBRXRGBRD4MAPK14
SCHEMBL16744408 0.76 MAPT (0.47) BRD4MEN1KMT2AMAPK14
SCHEMBL2118516 0.76 MAPT (0.41) BRD4MAPK14
SCHEMBL2115801 0.76 SRD5A2 (0.51) RXRARXRBRXRGBRD4MEN1
SCHEMBL13555553 0.76 BRD4 (0.44) BRD4LIPE
SCHEMBL13555540 0.73 MAPK14 (0.46) BRD4MEN1KMT2AMAPK14PTGER1
SCHEMBL9013232 0.73 BRD4 (0.41) BRD4MAPK14SRD5A1SRD5A2
Hydrochloric Acid SCHEMBL13386403 0.72 MAPK14 (0.45) BRD4MEN1KMT2AMAPK14PTGER1
SCHEMBL2117411 0.71 BRD4 (0.38) BRD4MAPK14
SCHEMBL13555537 0.71 MCHR1 (0.45) BRD4MEN1KMT2AMAPK14

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 27 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
EP-2448922-B1 FLUORINATED DERIVATIVES OF 3-HYDROXYPYRIDIN-4-ONES APOTEX TECHNOLOGIES INC (CA) 2014-08-20 — — EP disclosed
CN-102712591-B Fluorinated derivatives of 3-hydroxypyridin-4-ones APOTEX TECHNOLOGIES INC 2014-06-25 — — CN disclosed
CN-103601673-A Fluorinated derivatives of 3-hydroxypyridin-4-ones APOTEX TECHNOLOGIES INC 2014-02-26 — — CN disclosed
US-20120270882-A1 FLUORINATED DERIVATES OF 3-HYDROXYPYRIDIN-4-ONES APOTEX TECHNOLOGIES INC. (CA) 2012-10-25 — — US 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

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 PDK1 221/4885PDK2 170/4885PDK3 173/4885
US-20170088518-A1 Fluorinated Derivatives of 3-Hydroxypyridin-4-Ones FH, FECH, FPGS PDK1 343/4885PDK2 225/4885PDK3 230/4885
US-20170247329-A1 \"Fluorinated Derivatives of 3-Hydroxypyridin-4-Ones\ FH, FECH, FPGS PDK1 237/4885PDK2 169/4885PDK3 185/4885
US-20150274665-A1 FLUORINATED DERIVATIVES OF 3-HYDROXYPYRIDIN-4-ONES FH, FECH, TFRC PDK1 296/4885PDK2 224/4885PDK3 223/4885

“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.