SCHEMBL4859010

SCHEMBL4859010

CCO[C@@H](Cc1ccc(NCCCN2CCOc3cc(F)ccc32)cc1)C(=O)O.[MgH2]

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.42
PPARA Q07869 14/20 0.42
PPARD Q03181 2/20 0.37
RORC P51449 1/20 0.36
PTPRF P10586 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL4825023 0.99 PPARA (0.42) PPARGPPARAPPARDRORCPTPRF
SCHEMBL1862780 0.99 PPARA (0.42) PPARGPPARAPPARDRORCPTPRF
SCHEMBL4858998 0.93 RORC (0.37) PPARGPPARARORCALDH1A1HTT
SCHEMBL12629330 0.92 PPARG (0.37) PPARGPPARARORCALDH1A1HTT
SCHEMBL1863740 0.92 RORC (0.36) PPARGPPARARORCALDH1A1HTT
SCHEMBL1857825 0.92 PPARG (0.37) PPARGPPARARORCALDH1A1HTT
SCHEMBL4826402 0.92 ALDH1A1 (0.37) PPARGPPARAPPARDRORCPTPRF
SCHEMBL4826424 0.92 ALDH1A1 (0.37) PPARGPPARAPPARDRORCPTPRF
SCHEMBL1861829 0.91 TSHR (0.37) PPARGPPARAPPARDRORCPTPRF
SCHEMBL4822973 0.91 TSHR (0.37) PPARGPPARAPPARDRORCPTPRF

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 4 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-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 113/4885PPARD 73/4885

“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.