SCHEMBL1010050

SCHEMBL1010050

COc1ccc(N(Cc2cccc(NS(C)(=O)=O)c2)Cc2c(Cl)cncc2Cl)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.50
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
PDE4D Q08499 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39
PKM P14618 1/20 0.39
PTK2 Q05397 1/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
GRK2 P25098 1/20 0.38
FYN P06241 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
CYP17A1 P05093 1/20 0.38
LMNA P02545 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
SCHEMBL1010002 0.83 QPCT (0.49) PDE4DPDE4APDE4BPDE4CQPCT
SCHEMBL1009113 0.81 PDE4D (0.45) PDE4DCYP2C19PDE4APDE4BPDE4C
SCHEMBL1008443 0.81 PDE4D (0.47) PDE4DALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL1010197 0.81 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CQPCT
SCHEMBL1009086 0.80 PDE4D (0.43) PDE4DALDH1A1PDE4APDE4BPDE4C
SCHEMBL1010015 0.79 CCR5 (0.45) PDE4DQPCT
SCHEMBL1008929 0.78 PDE4D (0.44) PDE4DALDH1A1CYP17A1QPCTKDM4E
SCHEMBL1065950 0.77 CA1 (0.45) PDE4DALDH1A1TSHRPDE4APDE4B
SCHEMBL1008748 0.77 PDE4D (0.45) PDE4DALDH1A1LMNAQPCTKDM4E
SCHEMBL1008845 0.76 PDE4D (0.44) PDE4DALDH1A1PDE4BLMNAQPCT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268632-B1 TERTIARY AMINE DERIVATIVES AS PHOSPHODIESTERASE-4 INHIBITORS CHIESI FARMA SPA (IT) 2012-08-08 EP claimed
EP-2268632-A1 TERTIARY AMINE DERIVATIVES AS PHOSPHODIESTERASE-4 INHIBITORS CHIESI FARMACEUTICI S.p.A. (IT) 2011-01-05 EP claimed
US-7820698-B2 Phosphodiesterase-4 inhibitors belonging to the tertiary amine class CHIESI FARMACEUTICI S.P.A. (IT) 2010-10-26 US claimed
WO-2009127320-A1 TERTIARY AMINE DERIVATIVES AS PHOSPHODIESTERASE-4 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2009-10-22 WO claimed
EP-2110375-A1 Phosphodiesterase-4 inhibitors belonging to the tertiary amine class CHIESI FARMACEUTICI S.p.A. (IT) 2009-10-21 EP claimed
US-20090258905-A1 PHOSPHODIESTERASE-4 INHIBITORS BELONGING TO THE TERTIARY AMINE CLASS CHIESI FARMACEUTICI S.P.A. (IT) 2009-10-15 US claimed

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

For each of this compound's patents that has machine-readable text (1 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-20090258905-A1 PHOSPHODIESTERASE-4 INHIBITORS BELONGING TO THE TERTIARY AMINE CLASS PDE4A, PDE4B, PDE2A NR3C1 2156/4885ROCK2 642/4885ROCK1 316/4885

“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.