SCHEMBL1859289

SCHEMBL1859289

CC(C)OC(Cc1ccc(NCCCN2CCOc3cc(F)ccc32)cc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.38
PPARG P37231 5/20 0.37
PPARA Q07869 5/20 0.37
PPARD Q03181 4/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NPY5R Q15761 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
GAA P10253 1/20 0.34
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1F P30939 1/20 0.33

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
SCHEMBL4823758 0.99 RORC (0.38) RORCPPARGPPARAPPARDHPGD
SCHEMBL4823762 0.93 RORC (0.39) RORCHPGDTSHRNPY5RALDH1A1
SCHEMBL4822973 0.91 TSHR (0.37) RORCPPARGPPARAPPARDHPGD
SCHEMBL1861829 0.91 TSHR (0.37) RORCPPARGPPARAPPARDHPGD
SCHEMBL1862182 0.91 RORC (0.38) RORCHPGDTSHRNPY5RALDH1A1
SCHEMBL4826402 0.91 ALDH1A1 (0.37) RORCPPARGPPARAPPARDHPGD
SCHEMBL4826424 0.91 ALDH1A1 (0.37) RORCPPARGPPARAPPARDHPGD
SCHEMBL1862780 0.90 PPARA (0.42) RORCPPARGPPARAPPARD
SCHEMBL4825023 0.90 PPARA (0.42) RORCPPARGPPARAPPARD
SCHEMBL4859010 0.89 PPARG (0.42) RORCPPARGPPARAPPARDALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365064-B2 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-29 US claimed
US-20050113368-A1 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2005-05-26 US claimed
EP-1436268-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2004-07-14 EP claimed
WO-2003033481-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2003-04-24 WO claimed
US-20110105748-A1 Novel beta-phenyl-alpha-oxysubstituted propionic derivatives: process for its preparation and their use in the preparation of pharmaceutically important compounds REDDY'S LABORATORIES INC. 2011-05-05 US disclosed
US-7365064-B2 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-29 US disclosed
US-7365064-B2 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-29 US disclosed
US-7365064-B2 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-29 US disclosed
US-20050113368-A1 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2005-05-26 US disclosed
EP-1437940-A1 THIAZINES AND THIAZOLES FOR USE AS MATERIAL PROTECTIVE AGENTS Bayer Chemicals AG (DE) 2004-07-21 EP disclosed
EP-1436268-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2004-07-14 EP disclosed
EP-1436247-A1 NOVEL-BETA-PHENYL-ALPHA-OXYSUBSTITUTED PROPIONIC DERIVATIVES: PROCESS FOR ITS PREPARATION AND THEIR USE IN THE PREPARATION OF PHARMACEUTICALLY IMPORTANT COMPOUNDS Dr. Reddy's Laboratories Ltd. (IN) 2004-07-14 EP disclosed
WO-2003033481-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2003-04-24 WO disclosed
WO-2003033456-A1 NOVEL β-PHENYL-α-OXYSUBSTITUTED PROPIONIC DERIVATIVES: PROCESS FOR ITS PREPARATION AND THEIR USE IN THE PREPARATION OF PHARMACEUTICALLY IMPORTANT COMPOUNDS DR. REDDY'S LABORATORIES LTD. (IN) 2003-04-24 WO disclosed
WO-2003001913-A1 THIAZINES AND THIAZOLES FOR USE AS MATERIAL PROTECTIVE AGENTS BAYER CHEMICALS AG (DE) 2003-01-09 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 (2 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-20110105748-A1 Novel beta-phenyl-alpha-oxysubstituted propionic derivatives: process for its preparation and their use in the preparation of pharmaceutically important compounds PCCA, ADRA1B, ADRA2B RORC 1199/4885PPARG 994/4885PPARA 822/4885
US-20050113368-A1 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them CYP3A5, HBZ, CYP4Z1 RORC 335/4885PPARG 86/4885PPARA 113/4885

“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.