SCHEMBL2085093

SCHEMBL2085093

CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nc(N3CCN(C=O)CC3)c2-c2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
PTGS1 P23219 3/20 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
SCHEMBL13018056 0.88 ALDH1A1 (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL12936298 0.86 PTGS2 (0.47) PTGS2PDE4APDE4BPDE4CPDE4D
SCHEMBL2085138 0.85 PTGS2 (0.47) PTGS2PDE4APDE4BPDE4CPDE4D
SCHEMBL2084805 0.85 LMNA (0.49) PTGS2PDE4APDE4BPDE4CPDE4D
SCHEMBL2085286 0.82 PDE4A (0.47) PTGS2PDE4APDE4BPDE4CPDE4D
SCHEMBL12936333 0.82 PDE4A (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL2083680 0.82 PTGS2 (0.44) PTGS2PDE4APDE4BPDE4CPDE4D
SCHEMBL27729743 0.82 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL2084735 0.81 PTGS2 (0.43) PTGS2PDE4APDE4BPDE4CPDE4D
SCHEMBL3398464 0.80 PDE4A (0.52) PTGS2PDE4APDE4BPDE4CPDE4D

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 30 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
CN-101360717-B Compound including pyrimidine ORCHID CHEMICALS & PHARM LTD 2014-04-16 CN claimed
US-8420653-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-04-16 US claimed
CN-101965338-A Novel heterocycles ORCHID RES LAB LTD 2011-02-02 CN 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
CN-101360717-A Novel heterocycles ORCHID RES LAB LTD (IN) 2009-02-04 CN claimed
US-20080207606-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2008-08-28 US 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
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-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
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 1346/4885PDE4A 3/4885PDE4B 8/4885
US-20100329998-A1 NOVEL HETEROCYCLES UACA, GPR4, CASP4 PTGS2 1482/4885PDE4A 4/4885PDE4B 6/4885
US-20070167413-A1 Novel heterocycles MCL1, UACA, MYLK2 PTGS2 1550/4885PDE4A 3070/4885PDE4B 3237/4885
US-20130172350-A1 PYRIMIDINE COMPOUNDS AND THEIR USES UMPS, PNP, PDE4A PTGS2 1485/4885PDE4A 3/4885PDE4B 6/4885

“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.