SCHEMBL2084879

SCHEMBL2084879

O=S(=O)(Cl)c1ccc(-c2c(Cl)nc(C(F)(F)F)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.46
PTGS1 P23219 4/20 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
SCHEMBL1572913 0.91 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL2086108 0.90 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL2084273 0.90 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL3397783 0.88 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL13017938 0.88 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL2084657 0.88 PDE4A (0.44) PTGS2PTGS1
SCHEMBL1573022 0.83 ADORA1 (0.39) PTGS2
SCHEMBL27750163 0.83 PTGS2 (0.32) PTGS2PTGS1
SCHEMBL13744894 0.82 SMN1; SMN2 (0.36) PTGS2PTGS1
SCHEMBL1573242 0.82 PTGS2 (0.50) PTGS2PTGS1

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 18 patents. 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-20140272398-A1 TRANSPARENT ELECTRODE AND ELECTRONIC DEVICE Konica Minolta, Inc. (JP) 2014-09-18 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-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
US-7863446-B2 Heterocycles ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-01-04 US disclosed
US-20100329998-A1 NOVEL HETEROCYCLES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2010-12-30 US disclosed
EP-2245017-A2 NOVEL HETEROCYCLES Orchid Research Laboratories Limited (IN) 2010-11-03 EP disclosed
WO-2009095773-A2 NOVEL HETEROCYCLES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-08-06 WO 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 PTGS2 1346/4885PTGS1 622/4885
US-20100329998-A1 NOVEL HETEROCYCLES UACA, GPR4, CASP4 PTGS2 1482/4885PTGS1 754/4885
US-20070167413-A1 Novel heterocycles MCL1, UACA, MYLK2 PTGS2 1550/4885PTGS1 809/4885
US-20130172350-A1 PYRIMIDINE COMPOUNDS AND THEIR USES UMPS, PNP, PDE4A PTGS2 1485/4885PTGS1 735/4885

“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.