SCHEMBL4823758

SCHEMBL4823758

CC(C)OC(Cc1ccc(NCCCN2CCOc3cc(F)ccc32)cc1)C(=O)O.[MgH2]

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.38
PPARG P37231 5/20 0.37
PPARA Q07869 5/20 0.37
PPARD Q03181 4/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
NPY5R Q15761 2/20 0.35
GAA P10253 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL1859289 0.99 RORC (0.38) RORCPPARGPPARAPPARDALDH1A1
SCHEMBL4823762 0.93 RORC (0.39) RORCALDH1A1HTTRECQLHPGD
SCHEMBL4826402 0.92 ALDH1A1 (0.37) RORCPPARGPPARAPPARDALDH1A1
SCHEMBL4826424 0.92 ALDH1A1 (0.37) RORCPPARGPPARAPPARDALDH1A1
SCHEMBL4822973 0.91 TSHR (0.37) RORCPPARGPPARAPPARDALDH1A1
SCHEMBL1861829 0.91 TSHR (0.37) RORCPPARGPPARAPPARDALDH1A1
SCHEMBL1862182 0.90 RORC (0.38) RORCALDH1A1HTTRECQLHPGD
SCHEMBL4859010 0.90 PPARG (0.42) RORCPPARGPPARAPPARDALDH1A1
SCHEMBL1862780 0.89 PPARA (0.42) RORCPPARGPPARAPPARD
SCHEMBL4825023 0.89 PPARA (0.42) RORCPPARGPPARAPPARD

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 2 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

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 RORC 335/4885PPARG 86/4885PPARA 113/4885

“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.