SCHEMBL4825231

SCHEMBL4825231

CO[C@@H](Cc1ccc(NCCCN2CC(C)Oc3ccccc32)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.39
PPARA Q07869 7/20 0.39
PPARD Q03181 3/20 0.39
PTPRF P10586 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
SIRT1 Q96EB6 4/20 0.38
CACNA1B Q00975 3/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
SIRT2 Q8IXJ6 2/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL1870590 1.00 PPARG (0.39) PPARGPPARAPPARDPTPRFPTPN2
SCHEMBL4825018 0.99 PPARG (0.39) PPARGPPARAPPARDPTPRFPTPN2
SCHEMBL1870599 0.94 PPARG (0.39) PPARGPPARAPPARDPTPRFPTPN2
SCHEMBL4825027 0.93 SIRT1 (0.36) PPARGPPARASIRT1CACNA1BGAA
SCHEMBL1862230 0.91 PPARG (0.49) PPARGPPARAPPARDPTPRFPTPN2
SCHEMBL4822987 0.91 PPARG (0.49) PPARGPPARAPPARDPTPRFPTPN2
SCHEMBL6312269 0.91 PPARG (0.39) PPARGPPARAPPARDPTPRFPTPN2
SCHEMBL4817522 0.90 PPARG (0.49) PPARGPPARAPPARDPTPRFPTPN2
SCHEMBL14194982 0.90 MAPT (0.38) PPARGPPARASIRT1CACNA1BGAA
SCHEMBL1863184 0.90 MAPT (0.38) PPARGPPARASIRT1CACNA1BGAA

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 6 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-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.