SCHEMBL2035696

SCHEMBL2035696

O=[N+]([O-])c1ccc(Oc2cncc(Cl)c2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.53
PPARG P37231 2/20 0.49
PDE7A Q13946 1/20 0.45
ALDH1A1 P00352 2/20 0.42
HIF1A Q16665 1/20 0.42
S1PR4 O95977 1/20 0.42
VEGFA P15692 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 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
SCHEMBL2031919 0.86 PDE7A (0.60) PPARGPDE7AALDH1A1MEN1MAPT
SCHEMBL22069742 0.85 HSPB1 (0.60) HSPB1PDE7AALDH1A1HIF1AS1PR4
SCHEMBL2030201 0.84 PPARG (0.47) HSPB1PPARGPDE7AALDH1A1VEGFA
SCHEMBL4694599 0.84 PPARG (0.49) HSPB1PPARGPDE7AALDH1A1S1PR4
SCHEMBL4697642 0.84 PPARG (0.52) HSPB1PPARGPDE7AALDH1A1VEGFA
SCHEMBL29151270 0.83 HSPB1 (0.58) HSPB1PDE7AALDH1A1HIF1AS1PR4
SCHEMBL2034854 0.83 PPARG (0.50) PPARGPDE7AMEN1MAPTKMT2A
SCHEMBL22069708 0.82 HSPB1 (0.68) HSPB1PDE7AALDH1A1HIF1AMEN1
SCHEMBL22069596 0.81 HSPB1 (0.56) HSPB1PDE7AALDH1A1HIF1AMEN1
SCHEMBL2031800 0.81 PPARG (0.52) PPARGPDE7AALDH1A1VEGFASLC22A12

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 19 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-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-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-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 370/4885PPARG 1/4885PDE7A 1599/4885
US-20060264481-A1 Therapeutic modulation of PPARgamma activity PPARG, PPARA, PPARD HSPB1 370/4885PPARG 1/4885PDE7A 1599/4885
US-20030139390-A1 Compounds for the modulation of PPARgamma activity PPARG, PPARA, PPARD HSPB1 595/4885PPARG 1/4885PDE7A 558/4885
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY PPARG, PPARA, PPARD HSPB1 553/4885PPARG 1/4885PDE7A 634/4885
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 316/4885PPARG 2/4885PDE7A 2002/4885

“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.