SCHEMBL2085307

SCHEMBL2085307

NS(=O)(=O)c1cccc(-c2c(Cl)nc(C(F)(F)F)nc2-c2ccc(F)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
MAOB P27338 2/20 0.48
MAOA P21397 1/20 0.48
LRRK2 Q5S007 4/20 0.44
MAP2K4 P45985 1/20 0.43
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA1 P00915 2/20 0.40
CA13 Q8N1Q1 1/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
SYK P43405 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
TTK P33981 3/20 0.39
CA12 O43570 1/20 0.39
ALOX5 P09917 1/20 0.39
TDO2 P48775 1/20 0.38

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
SCHEMBL2084657 0.90 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL2087025 0.87 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL2086108 0.87 PTGS2 (0.51) MAOBMAOAPTGS1PTGS2ALOX5
SCHEMBL2082760 0.82 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCA2
SCHEMBL3397783 0.81 PTGS2 (0.40) PDE4APDE4BPDE4CPDE4DPTGS1
SCHEMBL2083726 0.81 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL2082733 0.80 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL2084518 0.80 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL2084999 0.80 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL2085857 0.80 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DMAOB

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 27 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 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
US-20130172350-A1 PYRIMIDINE COMPOUNDS AND THEIR USES ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2013-07-04 US disclosed
US-20130172350-A1 PYRIMIDINE COMPOUNDS AND THEIR USES ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2013-07-04 US disclosed
US-20130172350-A1 PYRIMIDINE COMPOUNDS AND THEIR USES ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2013-07-04 US disclosed
US-8420653-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-04-16 US disclosed
US-8420653-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-04-16 US disclosed
WO-2009095773-A2 NOVEL HETEROCYCLES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-08-06 WO disclosed
CN-101360717-A Novel heterocycles ORCHID RES LAB LTD (IN) 2009-02-04 CN disclosed
EP-1973884-A2 NOVEL HETEROCYCLES Orchid Research Laboratories Limited (IN) 2008-10-01 EP disclosed
US-20080207606-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2008-08-28 US disclosed
US-20080207606-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2008-08-28 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 PDE4A 3/4885PDE4B 8/4885PDE4C 29/4885
US-20070167413-A1 Novel heterocycles MCL1, UACA, MYLK2 PDE4A 3070/4885PDE4B 3237/4885PDE4C 3411/4885
US-20130172350-A1 PYRIMIDINE COMPOUNDS AND THEIR USES UMPS, PNP, PDE4A PDE4A 3/4885PDE4B 6/4885PDE4C 43/4885

“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.