SCHEMBL2028623

SCHEMBL2028623

N#Cc1cc([N+](=O)[O-])ccc1Oc1cc(F)cc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.51
EPAS1 Q99814 9/20 0.51
VCAM1 P19320 1/20 0.50
VEGFA P15692 2/20 0.49
SLC22A12 Q96S37 1/20 0.48
LMNA P02545 3/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
EYA2 O00167 1/20 0.44
MAPT P10636 1/20 0.44
PLA2G7 Q13093 1/20 0.44
ESRRA P11474 1/20 0.43

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
SCHEMBL11087204 0.89 HSPB1 (0.66) HSPB1VCAM1SLC22A12LMNAALDH1A1
SCHEMBL2030047 0.83 ESRRA (0.51) VCAM1SLC22A12LMNAALDH1A1HTT
SCHEMBL2030779 0.83 VCAM1 (0.57) HSPB1EPAS1VCAM1VEGFASLC22A12
SCHEMBL11779619 0.83 HSPB1 (0.68) HSPB1VCAM1SLC22A12ALDH1A1MAPT
SCHEMBL6052442 0.83 VCAM1 (0.53) HSPB1VCAM1LMNAALDH1A1HTT
SCHEMBL11095242 0.83 PLA2G7 (0.48) HSPB1EPAS1VCAM1SLC22A12LMNA
SCHEMBL11088409 0.82 VCAM1 (0.60) HSPB1EPAS1VCAM1SLC22A12LMNA
SCHEMBL11099104 0.82 VCAM1 (0.51) HSPB1VCAM1LMNAALDH1A1HTT
SCHEMBL826371 0.81 LMNA (0.48) HSPB1VCAM1SLC22A12LMNAALDH1A1
SCHEMBL29525543 0.81 LMNA (0.48) HSPB1VCAM1SLC22A12LMNAALDH1A1

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-7968567-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2011-06-28 US disclosed
US-7968567-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2011-06-28 US disclosed
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY AMGEN INC. (US) 2010-05-06 US disclosed
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY AMGEN INC. (US) 2010-05-06 US disclosed
US-7626033-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2009-12-01 US disclosed
US-7626033-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2009-12-01 US disclosed
US-20060264481-A1 Therapeutic modulation of PPARgamma activity AMGEN INC. (US) 2006-11-23 US disclosed
EP-1722789-A2 THERAPEUTIC MODULATION OF PPAR (GAMMA) ACTIVITY Amgen Inc. (US) 2006-11-22 EP disclosed
US-7041691-B1 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2006-05-09 US disclosed
US-20050250820-A1 Therapeutic modulation of PPARgamma activity AMGEN INC. (US) 2005-11-10 US disclosed
WO-2005086904-A2 THERAPEUTIC MODULATION OF PPAR (GAMMA) ACTIVITY AMGEN INC. (US) 2005-09-22 WO disclosed
US-20040248882-A1 Noninsulin dependent diabetes, obesity, hypercholesterolemia, inflammatory disorders; reduced side effects; such as 5-(4-acetylbenzenesulfonamido-2-fluorophenoxy)-3-chloropyridine TULARIK INC. 2004-12-09 US disclosed
US-6770648-B2 ANTIDIABETIC AGENTS TULARIK INC. 2004-08-03 US disclosed
US-20030139390-A1 Compounds for the modulation of PPARgamma activity TULARIK INC. 2003-07-24 US disclosed
EP-1192137-A1 COMPOUNDS FOR THE MODULATION OF PPAR$g(g) ACTIVITY Tularik Inc. (US) 2002-04-03 EP disclosed
WO-2001000579-A1 COMPOUNDS FOR THE MODULATION OF PPARη ACTIVITY TULARIK INC. (US) 2001-01-04 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 (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-20050250820-A1 Therapeutic modulation of PPARgamma activity PPARG, PPARA, PPARD HSPB1 370/4885EPAS1 551/4885VCAM1 1654/4885
US-20060264481-A1 Therapeutic modulation of PPARgamma activity PPARG, PPARA, PPARD HSPB1 370/4885EPAS1 551/4885VCAM1 1654/4885
US-20030139390-A1 Compounds for the modulation of PPARgamma activity PPARG, PPARA, PPARD HSPB1 595/4885EPAS1 911/4885VCAM1 3511/4885
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY PPARG, PPARA, PPARD HSPB1 553/4885EPAS1 895/4885VCAM1 3553/4885
US-20040248882-A1 Noninsulin dependent diabetes, obesity, hypercholesterolemia, inflammatory disorders; reduced side effects; such as 5-(4-acetylbenzenesulfonamido-2-fluorophenoxy)-3-chloropyridine PPARD, PPARG, PPARA HSPB1 316/4885EPAS1 1318/4885VCAM1 899/4885

“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.