SCHEMBL2581150

SCHEMBL2581150

CC(C)(Oc1ccc(N(C(N)=O)c2cc(Cl)cc(Cl)c2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C19 P33261 1/20 0.57
PPARG P37231 4/20 0.51
FABP2 P12104 2/20 0.51
SLC22A12 Q96S37 1/20 0.51
PDE5A O76074 1/20 0.45
MAP4K4 O95819 1/20 0.45
KCNH2 Q12809 1/20 0.45
MINK1 Q8N4C8 1/20 0.45
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
TSHR P16473 3/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL1304906 0.89 PPARA (0.54) PPARAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL1305526 0.88 PPARA (0.52) PPARAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL1305267 0.87 PPARA (0.55) PPARAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL1304561 0.86 PPARA (0.52) PPARAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL1304994 0.85 PPARA (0.52) PPARAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL1304681 0.85 PPARA (0.53) PPARAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL1304973 0.84 PPARA (0.47) PPARAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL1304250 0.83 PPARA (0.51) PPARAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL1305427 0.83 PPARA (0.51) PPARAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL1305105 0.83 PPARA (0.51) PPARAMEN1KMT2ACYP1A2CYP3A4

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048896-B2 Inhibit nonenzymatic formation of advanced glycation end-products (AGE) using e.g. aminoguanidine, OPB-9195 [(+/-)-2-isopropylidenehydrazono-4-oxo-thiazolidin-5-yla cetanilide], pyridoxamine, antioxidants, alagebrium, antihypertensives, angiotensin-converting enzyme inhibitors Cell Viable Corporation (US) 2011-11-01 US claimed
WO-2008136888-A2 SECOND GENERATION LOW OXYGEN AFFINITY PEGYLATED HEMOGLOBINS AS OXYGEN-CARRYING PLASMA EXPANDERS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2008-11-13 WO claimed
EP-1165064-B1 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) HOPE CITY (US) 2004-02-25 EP claimed
US-6337350-B1 CROSSLINKING INHIBITION OF PROTEINS CITY OF HOPE 2002-01-08 US claimed
EP-1165064-A2 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) City of Hope (US) 2002-01-02 EP claimed
WO-2000059875-A2 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) CITY OF HOPE (US) 2000-10-12 WO claimed
US-8697645-B2 Second generation low oxygen affinity pegylated hemoglobins as oxygen-carrying plasma expanders ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2014-04-15 US disclosed
US-20100216695-A1 SECOND GENERATION LOW OXYGEN AFFINITY PEGYLATED HEMOGLOBINS AS OXYGEN-CARRYING PLASMA EXPANDERS NATIONAL INSTITUTES OF HEALTH 2010-08-26 US disclosed
WO-2008136888-A2 SECOND GENERATION LOW OXYGEN AFFINITY PEGYLATED HEMOGLOBINS AS OXYGEN-CARRYING PLASMA EXPANDERS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2008-11-13 WO disclosed
EP-1165064-B1 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) HOPE CITY (US) 2004-02-25 EP disclosed
US-6337350-B1 CROSSLINKING INHIBITION OF PROTEINS CITY OF HOPE 2002-01-08 US disclosed
EP-1165064-A2 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) City of Hope (US) 2002-01-02 EP disclosed
WO-2000059875-A2 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) CITY OF HOPE (US) 2000-10-12 WO disclosed
US-5472981-A Treating hemoglobin or blood in vivo or in vitro to modify the affinity of hemoglobin for oxygen MONTEFIORE MEDICAL CENTER (US) 1995-12-05 US disclosed
US-5292935-A Carboxyalkoxy-substituted diphenylurea MONTEFIORE MEDICAL CENTER (US) 1994-03-08 US disclosed
US-5093367-A Arylureidophenoxymethylpropionic acids which have activity in dissociation of oxygen from hemoglobin MONTEFIORE MEDICAL CENTER (US) 1992-03-03 US disclosed
EP-0420930-A4 METHOD OF SYNTHESIS AND NOVEL COMPOUNDS FOR PHARMACEUTICAL USES 1991-12-04 EP disclosed
EP-0420930-A1 METHOD OF SYNTHESIS AND NOVEL COMPOUNDS FOR PHARMACEUTICAL USES LALEZARI, Iraj (US) 1991-04-10 EP disclosed
US-4921997-A Method of synthesis and novel compounds for pharmaceutical uses MONTEFIORE MEDICAL CENTER (US) 1990-05-01 US disclosed
WO-1989012622-A1 METHOD OF SYNTHESIS AND NOVEL COMPOUNDS FOR PHARMACEUTICAL USES LALEZARI IRAJ (US) 1989-12-28 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-20100216695-A1 SECOND GENERATION LOW OXYGEN AFFINITY PEGYLATED HEMOGLOBINS AS OXYGEN-CARRYING PLASMA EXPANDERS HBG2, HBG1, HBB PPARA 1286/4885MEN1 4045/4885KMT2A 1404/4885

“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.