SCHEMBL2084529

SCHEMBL2084529

CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nc(N3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)c2-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.48
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
POLB P06746 2/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 1/20 0.42
MITF O75030 4/20 0.41
GPR6 P46095 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PTGS2 P35354 1/20 0.39
MEN1 O00255 1/20 0.39
S1PR4 O95977 1/20 0.39

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
SCHEMBL2082946 0.93 SLC2A1 (0.46) SLC2A1PDE4APDE4BPDE4CPDE4D
SCHEMBL2082719 0.92 SLC2A1 (0.44) SLC2A1PDE4APDE4BPDE4CPDE4D
SCHEMBL2084783 0.86 CA12 (0.54) SLC2A1PDE4APDE4BPDE4CPDE4D
SCHEMBL2085020 0.86 CA12 (0.54) SLC2A1PDE4APDE4BPDE4CPDE4D
SCHEMBL2082801 0.83 SLC2A1 (0.44) SLC2A1CA12CA1CA2CA7
SCHEMBL3398464 0.83 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DGPR6
SCHEMBL2082675 0.83 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DGPR6
SCHEMBL2084921 0.80 ALDH1A1 (0.52) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL2085157 0.80 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DGPR6
SCHEMBL2084276 0.79 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973884-B1 NOVEL HETEROCYCLES ORCHID PHARMA LTD (IN) 2016-08-03 EP claimed
US-8420653-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-04-16 US claimed
US-7863446-B2 Heterocycles ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-01-04 US claimed
US-20100329998-A1 NOVEL HETEROCYCLES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2010-12-30 US claimed
EP-2245017-A2 NOVEL HETEROCYCLES Orchid Research Laboratories Limited (IN) 2010-11-03 EP claimed
WO-2009095773-A2 NOVEL HETEROCYCLES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-08-06 WO claimed
EP-1973884-A2 NOVEL HETEROCYCLES Orchid Research Laboratories Limited (IN) 2008-10-01 EP claimed
US-20080207606-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2008-08-28 US claimed
WO-2007083182-A2 NOVEL HETEROCYCLES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-07-26 WO claimed
US-20070167413-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-07-19 US claimed
EP-1973884-B1 NOVEL HETEROCYCLES ORCHID PHARMA LTD (IN) 2016-08-03 EP disclosed
EP-1973884-B1 NOVEL HETEROCYCLES ORCHID PHARMA LTD (IN) 2016-08-03 EP disclosed
US-8828999-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2014-09-09 US disclosed
US-8828999-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2014-09-09 US disclosed
US-8828999-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2014-09-09 US disclosed
WO-2007083182-A2 NOVEL HETEROCYCLES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-07-26 WO disclosed
WO-2007083182-A2 NOVEL HETEROCYCLES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-07-26 WO disclosed
US-20070167413-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-07-19 US disclosed
US-20070167413-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-07-19 US disclosed
US-20070167413-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-07-19 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 (3 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-20080207606-A1 Novel heterocycles GPR4, UACA, PDE4A SLC2A1 2907/4885PDE4A 3/4885PDE4B 8/4885
US-20100329998-A1 NOVEL HETEROCYCLES UACA, GPR4, CASP4 SLC2A1 3003/4885PDE4A 4/4885PDE4B 6/4885
US-20070167413-A1 Novel heterocycles MCL1, UACA, MYLK2 SLC2A1 1782/4885PDE4A 3070/4885PDE4B 3237/4885

“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.