Sugi Predict

Sugi Predict / Compounds / SCHEMBL3553556

SCHEMBL3553556

SCHEMBL3553556

FC(F)(F)c1cccc(Oc2ccc(Br)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.52
▸ TEAD1 P28347 1/20 0.51
▸ KIF11 P52732 1/20 0.49
▸ NR3C1 P04150 1/20 0.47
▸ PGR P06401 1/20 0.47
▸ AR P10275 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ TLR8 Q9NR97 1/20 0.46
▸ TLR7 Q9NYK1 1/20 0.46
▸ TTBK1 Q5TCY1 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ MMP14 P50281 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ SCN9A Q15858 1/20 0.44

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
SCHEMBL27579381 0.91 LTA4H (0.59) LTA4HTEAD1KIF11NR3C1PGR
SCHEMBL29603301 0.87 NPSR1 (0.53) LTA4HTEAD1KIF11L3MBTL1ALDH1A1
SCHEMBL9546439 0.87 NPSR1 (0.53) LTA4HTEAD1KIF11L3MBTL1ALDH1A1
SCHEMBL9798371 0.87 LTA4H (0.54) LTA4HTEAD1KIF11NR3C1PGR
SCHEMBL1813853 0.86 TEAD1 (0.51) LTA4HTEAD1KIF11TLR8L3MBTL1
SCHEMBL9546526 0.85 L3MBTL1 (0.55) LTA4HTEAD1KIF11NR3C1PGR
SCHEMBL476378 0.82 ALDH1A1 (0.66) LTA4HKIF11NR3C1PGRAR
SCHEMBL4043144 0.82 LTA4H (0.53) LTA4HTEAD1KIF11NR3C1PGR
SCHEMBL15635197 0.82 PPARG (0.55) LTA4HTEAD1KIF11NR3C1PGR
SCHEMBL5542591 0.82 LTA4H (0.52) LTA4HTEAD1KIF11NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481831-B1 4-AMINOPYRAZOLO[3,4-D]PYRIMIDINYLAZABICYCLO DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO LTD (KR) 2023-09-06 — — EP disclosed
EP-3481831-B1 4-AMINOPYRAZOLO[3,4-D]PYRIMIDINYLAZABICYCLO DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO LTD (KR) 2023-09-06 — — EP disclosed
US-11180502-B2 Azaspiro[4.5]decane derivatives and use thereof PURDUE PHARMA L.P. (US) 2021-11-23 — — US disclosed
US-11180502-B2 Azaspiro[4.5]decane derivatives and use thereof PURDUE PHARMA L.P. (US) 2021-11-23 — — US disclosed
CN-109153680-B 4-aminopyrazolo [3,4-d ] pyrimidinylazabicyclo derivatives and pharmaceutical compositions containing the same 株式会社大熊制药 2021-04-23 — — CN disclosed
EP-3039019-B1 AZASPIRO[4.5]DECANE DERIVATIVES AND USE THEREOF PURDUE PHARMA LP (US) 2020-04-22 — — EP disclosed
EP-3039019-B1 AZASPIRO[4.5]DECANE DERIVATIVES AND USE THEREOF PURDUE PHARMA LP (US) 2020-04-22 — — EP disclosed
US-10399988-B2 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo derivatives and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2019-09-03 — — US disclosed
US-10399988-B2 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo derivatives and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2019-09-03 — — US disclosed
US-20190161488-A1 Novel 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo Derivatives and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2019-05-30 — — US disclosed
US-20080021073-A1 NOVEL HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-24 — — US disclosed
US-20080021073-A1 NOVEL HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-24 — — US disclosed
WO-2007138048-A1 NOVEL HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-06 — — WO disclosed
WO-2007138048-A1 NOVEL HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-06 — — WO disclosed
US-20070281977-A1 NOVEL HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-06 — — US disclosed
US-20070281977-A1 NOVEL HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-06 — — US disclosed
US-20070281977-A1 NOVEL HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-06 — — US disclosed
EP-1862459-A1 Novel heterocyclic compounds GLAXO GROUP LIMITED (GB) 2007-12-05 — — EP disclosed
EP-1862459-A1 Novel heterocyclic compounds GLAXO GROUP LIMITED (GB) 2007-12-05 — — EP disclosed
US-5066409-A Novel aryl ether sulfones THE DOW CHEMICAL COMPANY (US) 1991-11-19 — — 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 (5 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-10399988-B2 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo derivatives and pharmaceutical composition comprising the same ITK, BTK, TYK2 LTA4H 1276/4885TEAD1 1928/4885KIF11 3154/4885
US-20080021073-A1 NOVEL HETEROCYCLIC COMPOUNDS CYP4B1, CYP3A4, G6PD LTA4H 618/4885TEAD1 2984/4885KIF11 2447/4885
US-20190161488-A1 Novel 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo Derivatives and Pharmaceutical Composition Comprising the Same BTK, ITK, TYK2 LTA4H 1185/4885TEAD1 1610/4885KIF11 3063/4885
US-20070281977-A1 NOVEL HETEROCYCLIC COMPOUNDS CYP4B1, CYP2C19, CYP3A4 LTA4H 1277/4885TEAD1 2744/4885KIF11 2896/4885
US-11180502-B2 Azaspiro[4.5]decane derivatives and use thereof TRPV1, SCN5A, TRPA1 LTA4H 1132/4885TEAD1 2598/4885KIF11 2236/4885

“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.