Sugi Predict

Sugi Predict / Compounds / SCHEMBL4307301

SCHEMBL4307301

SCHEMBL4307301

Oc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ ESR1 P03372 1/20 0.64
▸ ESR2 Q92731 1/20 0.64
▸ LTA4H P09960 5/20 0.54
▸ NR1H2 P55055 1/20 0.54
▸ BAX Q07812 1/20 0.54
▸ EPHX2 P34913 2/20 0.47
▸ FAAH O00519 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ PARP10 Q53GL7 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ TPX2 Q9ULW0 1/20 0.45
▸ MMP2 P08253 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP13 P45452 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
SCHEMBL9589201 1.00 MEN1 (0.64) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL221511 0.93 MAPT (0.52) MEN1KMT2AESR1ESR2EPHX2
SCHEMBL9590608 0.89 LTA4H (0.53) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL28780452 0.88 EPHX2 (0.50) MEN1KMT2ALTA4HEPHX2FAAH
SCHEMBL508237 0.86 AURKA (0.57) MEN1KMT2AESR1ESR2EPHX2
SCHEMBL9589488 0.85 LTA4H (0.53) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL9589995 0.85 LTA4H (0.53) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL9588167 0.85 LTA4H (0.53) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL13279015 0.84 KCNA5 (0.50) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL20805846 0.83 EPHX2 (0.78) MEN1KMT2AEPHX2FAAHMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5219477-A Containing organometallic salts and inorganic metal borates; fromo reactinmetal hydroxide with phenols or aromatic carboxylic acid THE DOW CHEMICAL COMPANY (US) 1993-06-15 — — US claimed
EP-1926708-B1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2014-06-18 — — EP disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 — — US disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 — — US disclosed
US-8598359-B2 Biaryl substituted heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2013-12-03 — — US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 — — EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 — — EP disclosed
EP-2272817-A1 PAI-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2011-01-12 — — EP disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 — — US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 — — US disclosed
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-03-22 — — US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 — — US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — EP disclosed
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 — — US disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 — — EP disclosed
US-5516767-A PRODRUG AS HYPOGLYCEMIC AGENT SANDOZ LTD. (CH) 1996-05-14 — — US disclosed
US-5412137-A Hypoglycemic agents SANDOZ LTD. (CH) 1995-05-02 — — US disclosed
US-5219477-A Containing organometallic salts and inorganic metal borates; fromo reactinmetal hydroxide with phenols or aromatic carboxylic acid THE DOW CHEMICAL COMPANY (US) 1993-06-15 — — US disclosed
US-4259532-A TRIFLUOROMETHOXYHALOPHENOL E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-31 — — US disclosed
US-4192669-A DERIVATIVES OF 2-(4-(4-(TRIFLUOROMETHOXY)-PHENOXY)PHENOXY)AALKANOIC ACIDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-03-11 — — 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 (3 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 MEN1 3295/4885KMT2A 4267/4885ESR1 1578/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S MEN1 4613/4885KMT2A 3243/4885ESR1 2616/4885
US-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 MEN1 210/4885KMT2A 2586/4885ESR1 1435/4885

“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.