SCHEMBL4823788

SCHEMBL4823788

CCO[C@H](Cc1ccc(NCCCN2CCOc3ccccc32)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.54
PPARA Q07869 11/20 0.54
TSHR P16473 3/20 0.42
PPARD Q03181 4/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL1868139 1.00 PPARG (0.54) PPARGPPARATSHRPPARDMAPT
SCHEMBL4827197 1.00 PPARG (0.54) PPARGPPARATSHRPPARDMAPT
SCHEMBL4826375 0.99 PPARG (0.54) PPARGPPARATSHRPPARDMAPT
SCHEMBL1858219 0.95 PPARG (0.54) PPARGPPARATSHRPPARDMAPT
SCHEMBL4826382 0.93 PPARG (0.47) PPARGPPARATSHRMAPTLMNA
SCHEMBL1858905 0.92 PPARG (0.45) PPARGPPARATSHRMAPTLMNA
SCHEMBL1860109 0.91 PPARG (0.48) PPARGPPARATSHRMAPTLMNA
SCHEMBL4825023 0.89 PPARA (0.42) PPARGPPARAPPARD
SCHEMBL1862780 0.89 PPARA (0.42) PPARGPPARAPPARD
Arginine SCHEMBL4826319 0.88 PPARG (0.44) PPARGPPARATSHRPPARDHPGD

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 6 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 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
WO-2003033481-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PARMACEUTICAL COMPOSITIONS CONTAINING THEM 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 (1 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-20050113368-A1 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them CYP3A5, HBZ, CYP4Z1 PPARG 86/4885PPARA 113/4885TSHR 1645/4885

“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.