SCHEMBL3089210

SCHEMBL3089210

COc1ccc(C(=O)C(Br)c2ccc(OC)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
CYP1A2 P05177 1/20 0.62
CES2 O00748 2/20 0.53
CES1 P23141 2/20 0.53
CA1 P00915 6/20 0.52
CA2 P00918 6/20 0.52
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
GSK3B P49841 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PARP1 P09874 1/20 0.50
PARP10 Q53GL7 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
PARP4 Q9UKK3 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL3105019 0.93 ALDH1A1 (0.55) ALDH1A1CYP1A2CES2CES1CA1
SCHEMBL2150940 0.93 ALDH1A1 (0.55) ALDH1A1CYP1A2CES2CES1CA1
SCHEMBL3092509 0.92 HPGD (0.60) ALDH1A1CYP1A2CES2CES1MAPT
SCHEMBL3098768 0.92 ALDH1A1 (0.54) ALDH1A1CYP1A2CES2CES1CA1
SCHEMBL3092612 0.92 HPGD (0.60) ALDH1A1CYP1A2CES2CES1MAPT
SCHEMBL6201289 0.91 ALDH1A1 (0.61) ALDH1A1CYP1A2CES2CES1CA1
SCHEMBL7017619 0.91 ALDH1A1 (0.57) ALDH1A1CYP1A2CES2CES1CA1
SCHEMBL3102478 0.91 ALDH1A1 (0.53) ALDH1A1CYP1A2CES2CES1CA1
SCHEMBL15096860 0.89 ALDH1A1 (0.59) ALDH1A1CYP1A2CES2CES1CA1
SCHEMBL5265061 0.89 CYP1A2 (0.51) ALDH1A1CYP1A2CES2CES1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 EP disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 EP disclosed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
EP-1748993-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP disclosed
US-20060141043-A1 Aqueous dispersion comprising stable nanoparticles of a water-insoluble thiazole derivative and excipients like middle chain triglycerides ASTRAZENECA A B (SE) 2006-06-29 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004069226-A1 AQUEOUS DISPERSION COMPRISING STABLE NANOPARTICLES OF A WATER-INSOLUBLE THIAZOLE DERIVATIVE AND EXCIPIENTS LIKE MIDDLE CHAIN TRIGLYCERIDES ASTRAZENECA AB (SE) 2004-08-19 WO disclosed
WO-2004058255-A1 4, 5-DIARYLTHIAZOLE DERIVATIVES AS CB-1 LIGANDS ASTRAZENECA AB (SE) 2004-07-15 WO disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed
EP-0159677-B1 NOVEL 4,5-BIS(4-METHOXYPHENYL)-2-(PYRROL-2-YL)THIAZOLES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KANEBO, LTD. (JP) 1989-02-22 EP disclosed
US-4659726-A ANTICOAGULANTS KANEBO, LTD. (JP) 1987-04-21 US disclosed
EP-0159677-A2 Novel 4,5-bis(4-methoxyphenyl)-2-(pyrrol-2-yl)thiazoles, process for the preparation thereof and pharmaceutical composition containing the same KANEBO, LTD. (JP) 1985-10-30 EP disclosed
US-4451471-A Certain 2,4,5-tri-substituted thiazoles, pharmaceutical compositions containing same and methods of using same CIBA-GEIGY CORPORATION (US) 1984-05-29 US disclosed
US-4186205-A ANTIARTHRITIC AGENTS SMITHKLINE CORPORATION (US) 1980-01-29 US disclosed
US-4168315-A ANTICOAGULANTS THE UPJOHN COMPANY (US) 1979-09-18 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-20070203155-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD ALDH1A1 1651/4885CYP1A2 1383/4885CES2 1636/4885
US-20060141043-A1 Aqueous dispersion comprising stable nanoparticles of a water-insoluble thiazole derivative and excipients like middle chain triglycerides CETP, LIPC, LIPA ALDH1A1 940/4885CYP1A2 782/4885CES2 1060/4885
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 ALDH1A1 1908/4885CYP1A2 3328/4885CES2 1815/4885

“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.