SCHEMBL4820701

SCHEMBL4820701

CO[C@@H](Cc1ccc(NCCCN2CC(C)Oc3cc(F)ccc32)cc1)C(=O)O.[MgH2]

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPRF P10586 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PPARG P37231 4/20 0.33
PPARA Q07869 4/20 0.33
PPARD Q03181 3/20 0.33
GRM2 Q14416 3/20 0.33
HTR2A P28223 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
AKR1B1 P15121 1/20 0.32
DGAT1 O75907 1/20 0.32
CREBBP Q92793 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CCR3 P51677 1/20 0.31

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
SCHEMBL1859041 0.99 PTPRF (0.36) PTPRFPTPN2PTPN1PPARGPPARA
SCHEMBL4825154 0.99 PTPRF (0.36) PTPRFPTPN2PTPN1PPARGPPARA
SCHEMBL1855249 0.94 MAPT (0.35) PTPRFPTPN2PTPN1PPARGPPARA
SCHEMBL4820708 0.93 GRM2 (0.33) PTPRFPTPN2PTPN1GRM2HTR2A
SCHEMBL4827261 0.92 PPARA (0.39) PTPRFPTPN2PTPN1PPARGPPARA
SCHEMBL4819031 0.91 PPARA (0.40) PTPRFPTPN2PTPN1PPARGPPARA
SCHEMBL1857385 0.91 PPARA (0.40) PTPRFPTPN2PTPN1PPARGPPARA
SCHEMBL1863406 0.90 MAPT (0.36) PPARGGRM2HTR2AMAPTLMNA
SCHEMBL14194987 0.90 MAPT (0.36) PPARGGRM2HTR2AMAPTLMNA
SCHEMBL4825018 0.90 PPARG (0.39) PTPRFPTPN2PTPN1PPARGPPARA

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 PTPRF 3007/4885PTPN2 1164/4885PTPN1 1124/4885

“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.