SCHEMBL4824935

SCHEMBL4824935

CCOC(Cc1cccc(NCCCN2CCOc3ccccc32)c1)C(=O)OC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
SIRT1 Q96EB6 2/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 2/20 0.31
RAB9A P51151 1/20 0.31
TACR2 P21452 2/20 0.31
EPHX1 P07099 1/20 0.31
HTR1A P08908 1/20 0.31
SLC6A4 P31645 1/20 0.31
LMNA P02545 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
RORC P51449 1/20 0.31
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30

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
SCHEMBL4826323 0.93 PPARG (0.37) TSHRPPARGPPARAHPGDMAPT
Arginine SCHEMBL4824931 0.91 PPARG (0.40) TSHRPPARGPPARASIRT1HPGD
Arginine SCHEMBL4824934 0.91 PPARG (0.40) TSHRPPARGPPARASIRT1HPGD
SCHEMBL4824348 0.89 PPARG (0.38) TSHRPPARGPPARAHPGDMAPT
SCHEMBL4823696 0.85 NPY4R (0.32) TSHRHPGDRORC
SCHEMBL4825272 0.85 NPY4R (0.32) TSHRHPGDRORC
SCHEMBL1858929 0.84 TSHR (0.42) TSHRPPARGPPARAHPGDMAPT
SCHEMBL4867157 0.84 PPARG (0.45) TSHRPPARGPPARAHPGDMAPT
Arginine SCHEMBL4826319 0.84 PPARG (0.44) TSHRPPARGPPARAHPGDTACR2
Arginine SCHEMBL4826312 0.84 PPARG (0.44) TSHRPPARGPPARAHPGDTACR2

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 TSHR 1645/4885PPARG 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.