SCHEMBL2085286

SCHEMBL2085286

CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2-c2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.43
SLC6A9 P48067 1/20 0.43
PTGS2 P35354 7/20 0.42
PTGS1 P23219 2/20 0.42
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
PTK2 Q05397 1/20 0.42
LMNA P02545 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
TP53 P04637 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
SCHEMBL2084899 0.86 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL2085138 0.83 PTGS2 (0.47) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL27729742 0.83 LMNA (0.41) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL12936336 0.82 KMT2A (0.42) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL2085093 0.82 PTGS2 (0.46) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL12936298 0.82 PTGS2 (0.47) PDE4APDE4BPDE4CPDE4DPTGS2
SCHEMBL2084805 0.81 LMNA (0.49) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL14468839 0.81 HTR1A (0.44) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL13018066 0.80 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL2083680 0.78 PTGS2 (0.44) PDE4APDE4BPDE4CPDE4DPTGS2

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 31 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
CN-101360717-A Novel heterocycles ORCHID RES LAB LTD (IN) 2009-02-04 CN 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
CN-101965338-B Heterocyclic rings ORCHID RES LAB LTD 2014-09-17 CN disclosed
US-8828999-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2014-09-09 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 (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-20100329998-A1 NOVEL HETEROCYCLES UACA, GPR4, CASP4 PDE4A 4/4885PDE4B 6/4885PDE4C 23/4885
US-20070167413-A1 Novel heterocycles MCL1, UACA, MYLK2 PDE4A 3070/4885PDE4B 3237/4885PDE4C 3411/4885

“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.