SCHEMBL4823643

SCHEMBL4823643

CCCC1CN(CCCNc2ccc(C[C@H](OCC)C(=O)O)cc2)c2ccccc2O1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.47
PPARA Q07869 15/20 0.47
PTPRF P10586 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PPARD Q03181 4/20 0.39

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
SCHEMBL1863850 1.00 PPARG (0.47) PPARGPPARAPTPRFPTPN2PTPN1
SCHEMBL4822578 0.99 PPARG (0.47) PPARGPPARAPTPRFPTPN2PTPN1
SCHEMBL1865902 0.96 PPARG (0.44) PPARGPPARAPTPRFPTPN2PTPN1
SCHEMBL4822586 0.94 PPARG (0.41) PPARGPPARAPTPRFPTPN2PTPN1
SCHEMBL1862112 0.93 PPARG (0.40) PPARGPPARA
SCHEMBL1860809 0.92 PPARG (0.39) PPARGPPARAPTPRFPTPN2PTPN1
SCHEMBL4823674 0.92 PPARG (0.39) PPARGPPARAPTPRFPTPN2PTPN1
SCHEMBL4823838 0.92 PPARG (0.38) PPARGPPARAPTPRFPTPN2PTPN1
SCHEMBL4823822 0.92 PPARG (0.38) PPARGPPARAPTPRFPTPN2PTPN1
SCHEMBL1865594 0.90 PPARG (0.38) PPARGPPARAPTPRFPTPN2PTPN1

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 113/4885PTPRF 3007/4885

“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.