SCHEMBL2980169

SCHEMBL2980169

CCOP(=O)(O)OC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
ACP3 P15309 2/20 0.47
TSHR P16473 2/20 0.44
LAP3 P28838 5/20 0.43
MAPK1 P28482 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ANPEP P15144 2/20 0.41
MAPT P10636 2/20 0.41
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL28746406 0.88 ACP3 (0.56) ACP3TSHRLAP3ANPEP
SCHEMBL4948497 0.86 CETP (0.44) ACP3TSHRLAP3
SCHEMBL4948722 0.84 CETP (0.48) ACP3
SCHEMBL4946343 0.84 CETP (0.48) ACP3
SCHEMBL4948696 0.84 CETP (0.48) ACP3
SCHEMBL4948135 0.84 CETP (0.48) ACP3
SCHEMBL5441381 0.83 ACP3 (0.45) ACP3TSHRLAP3ANPEP
SCHEMBL445039 0.81 ACP3 (0.56) ACP3TSHRLAP3ANPEP
SCHEMBL10757396 0.80 CYP3A4 (0.45) ACP3MAPK1PPARGPPARAALDH1A1
SCHEMBL28547996 0.80 ACP3 (0.54) ACP3TSHRLAP3ANPEP

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 US claimed
US-7112587-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-09-26 US claimed
EP-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-26 US claimed
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed
US-20040209881-A1 e.g., N-Cycloheptyl-N'(1-ethyl-pyrrolidin-2-ylmethyl)-6-(3-fluoro-4-methoxy-phenoxy)-[1,3,5]triazine-2,4-diamine; treating unwanted cellular proliferation, an inflammation mediated disease, or a hyperproliferative disease, or modulating a glycosidase enzyme DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-21 US claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO claimed
US-7776855-B2 Antimicrobial oxazolidinone prodrugs JANSSEN PHARMACEUTICA N.V. (BG) 2010-08-17 US disclosed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-20080027053-A1 ANTIMICROBIAL OXAZOLIDINONE PRODRUGS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-31 US disclosed
WO-2008014108-A2 ANTIMICROBIAL OXAZOLIDINONE PRODRUGS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-31 WO disclosed
US-7265114-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-09-04 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-7112587-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-09-26 US disclosed
US-20060172984-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2006-08-03 US disclosed
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (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 (5 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-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS POLB 3147/4885ACP3 3817/4885TSHR 2758/4885
US-20080027053-A1 ANTIMICROBIAL OXAZOLIDINONE PRODRUGS OXA1L, PGLS, CYP51A1 POLB 1226/4885ACP3 3603/4885TSHR 4578/4885
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 POLB 3982/4885ACP3 4376/4885TSHR 1630/4885
US-20060172984-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS POLB 3147/4885ACP3 3817/4885TSHR 2758/4885
US-20040209881-A1 e.g., N-Cycloheptyl-N'(1-ethyl-pyrrolidin-2-ylmethyl)-6-(3-fluoro-4-methoxy-phenoxy)-[1,3,5]triazine-2,4-diamine; treating unwanted cellular proliferation, an inflammation mediated disease, or a hyperproliferative disease, or modulating a glycosidase enzyme ENGASE, LIPG, GPI POLB 2506/4885ACP3 1842/4885TSHR 3952/4885

“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.