SCHEMBL4817680

SCHEMBL4817680

CCOC(Cc1cccc(NCc2ccc(O)cc2)c1)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.47
PPARA Q07869 6/20 0.47
HIF1A Q16665 3/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
EGFR P00533 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 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
SCHEMBL4821206 0.87 CA1 (0.56) PPARGPPARAHIF1ACA1CA2
SCHEMBL14223733 0.82 HIF1A (0.46) PPARGPPARAHIF1ACA1CA2
SCHEMBL5374852 0.81 PPARG (0.46) PPARGPPARA
SCHEMBL3535230 0.81 ESR1 (0.58) PPARGPPARAKMT2AESR1ESR2
SCHEMBL3535227 0.81 ESR1 (0.58) PPARGPPARAKMT2AESR1ESR2
SCHEMBL1861279 0.75 PPARG (0.44) PPARGPPARA
SCHEMBL5382411 0.73 PPARA (0.57) PPARGPPARAFFAR1
SCHEMBL4334124 0.72 PPARG (0.47) PPARGPPARACA1CA2
SCHEMBL5479352 0.72 PPARG (0.47) PPARGPPARACA1CA2
SCHEMBL5479355 0.72 PPARG (0.47) PPARGPPARACA1CA2

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 5 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-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 113/4885HIF1A 2340/4885

“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.