SCHEMBL4823006

SCHEMBL4823006

CCOC(=O)[C@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1)OCC

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.83
PPARG P37231 16/20 0.83
PPARD Q03181 4/20 0.52
PGR P06401 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
TBXA2R P21731 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
PDE4A P27815 1/20 0.45
ADRA1A P35348 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL5342984 1.00 PPARA (0.83) PPARAPPARGPPARDPGRADORA3
SCHEMBL6003718 0.93 PPARG (0.72) PPARAPPARGPPARD
SCHEMBL6002523 0.93 PPARG (0.81) PPARAPPARGPPARD
Ragaglitazar SCHEMBL4822459 0.91 PPARA (1.00) PPARAPPARGPPARD
Ragaglitazar SCHEMBL29369224 0.91 PPARA (1.00) PPARAPPARGPPARD
Ragaglitazar SCHEMBL676872 0.91 PPARA (1.00) PPARAPPARGPPARD
Ragaglitazar SCHEMBL682732 0.91 PPARA (1.00) PPARAPPARGPPARD
SCHEMBL6003707 0.91 PPARG (0.69) PPARAPPARGPPARD
SCHEMBL7246044 0.90 PPARG (0.74) PPARAPPARGPPARD
SCHEMBL21621206 0.88 PPARG (0.80) PPARAPPARGPPARD

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-7414128-B2 Crystalline R-guanidines, Arginine or (L)-Arginine (2S)-2-Ethoxy-3-{4-[2-(10H -phenoxazin-10-yl)ethoxy]phenyl}propanoate DR. REDDY'S LABORATORIES, LIMITED (IN) 2008-08-19 US disclosed
US-20050159600-A1 Crystalline R-guanidines, arginine or (L)-arginine (2S)-2-ethoxy-3-{4-[2-(10H-phenoxazin-10-yl)ethoxy]phenyl}propanoate DR. REDDY'S LABORATORIES, INC. 2005-07-21 US disclosed
US-20030004341-A1 Crystalline R-guanidines, arginine or (L)-arginine (2S)-2-ethoxy-3-{4-[2-(10H-phenoxazin-10-yl)ethoxy]phenyl}propanoate EBDRUP SOREN (DK) 2003-01-02 US disclosed
WO-2000063189-A1 CRYSTALLINE R- GUANIDINES, ARGININE OR (L) -ARGININE (2S) -2- ETHOXY -3-{4- [2-(10H -PHENOXAZIN -10-YL)ETHOXY]PHENYL}PROPANOATE NOVO NORDISK A/S (DK) 2000-10-26 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 (2 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-20050159600-A1 Crystalline R-guanidines, arginine or (L)-arginine (2S)-2-ethoxy-3-{4-[2-(10H-phenoxazin-10-yl)ethoxy]phenyl}propanoate PRMT3, ARG1, ARGLU1 PPARA 530/4885PPARG 769/4885PPARD 569/4885
US-20030004341-A1 Crystalline R-guanidines, arginine or (L)-arginine (2S)-2-ethoxy-3-{4-[2-(10H-phenoxazin-10-yl)ethoxy]phenyl}propanoate PRMT3, ARG1, ARGLU1 PPARA 932/4885PPARG 1181/4885PPARD 835/4885

“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.