SCHEMBL1865225

SCHEMBL1865225

CCOC(Cc1ccc(NCCCCC(=O)N2CCOc3ccccc32)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.50
PPARA Q07869 3/20 0.50
RAB9A P51151 1/20 0.48
MAPT P10636 3/20 0.46
RXFP1 Q9HBX9 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 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
SCHEMBL1867257 0.92 MAPT (0.46) PPARGPPARARAB9AMAPTRXFP1
Arginine SCHEMBL4820167 0.89 RAB9A (0.42) PPARGPPARARAB9AMAPTRXFP1
Arginine SCHEMBL4820161 0.89 RAB9A (0.42) PPARGPPARARAB9AMAPTRXFP1
SCHEMBL14223789 0.87 RAB9A (0.45) RAB9AMAPTRXFP1LMNAGAA
SCHEMBL4827197 0.85 PPARG (0.54) PPARGPPARAMAPTRXFP1LMNA
SCHEMBL4823788 0.85 PPARG (0.54) PPARGPPARAMAPTRXFP1LMNA
SCHEMBL1868139 0.85 PPARG (0.54) PPARGPPARAMAPTRXFP1LMNA
SCHEMBL4826375 0.84 PPARG (0.54) PPARGPPARAMAPTRXFP1LMNA
SCHEMBL1858219 0.83 PPARG (0.54) PPARGPPARAMAPTRXFP1LMNA
SCHEMBL4820171 0.82 RAB9A (0.40) PPARGPPARARAB9AMAPTRXFP1

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 13 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-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

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 PPARG 994/4885PPARA 822/4885RAB9A 2341/4885
US-20050113368-A1 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them CYP3A5, HBZ, CYP4Z1 PPARG 86/4885PPARA 113/4885RAB9A 3400/4885

“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.