SCHEMBL4339715

SCHEMBL4339715

CC1(COc2cc(F)c(Cl)cc2[N+](=O)[O-])COC(C)(C)O1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 1/20 0.34
SLC6A4 P31645 1/20 0.34
S1PR4 O95977 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
HSPB1 P04792 2/20 0.30
ESPL1 Q14674 1/20 0.30
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PIN1 Q13526 1/20 0.30

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
SCHEMBL4189177 0.86 DPP4 (0.34) MAPTLMNAHTTS1PR4KDM4E
SCHEMBL4346182 0.81 ALDH1A1 (0.47) MAPTHTTKDM4EMEN1PKM
SCHEMBL5127613 0.81 ALDH1A1 (0.47) MAPTHTTKDM4EMEN1PKM
SCHEMBL4336371 0.81 TSHR (0.39) MAPTLMNAS1PR4KDM4EMEN1
SCHEMBL27767811 0.78 SLC6A4 (0.31) SLC6A4S1PR4
SCHEMBL5117607 0.77 MAPT (0.37) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL4335626 0.77 MAPT (0.37) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL4189589 0.77 MAPT (0.37) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL14267045 0.71 SMN1; SMN2 (0.38) MAPTLMNAHTTS1PR4PKM
SCHEMBL3204875 0.71 ALDH1A1 (0.50) MAPTHTTKDM4EMEN1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027105-A2 NOVEL PROCESS FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS AstraZeneca AB (SE) 2009-02-25 EP claimed
US-20080064884-A1 Novel Process 1 ASTRAZENECA AB (SE) 2008-03-13 US claimed
WO-2007129960-A2 NOVEL PROCESSES FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS ASTRAZENECA AB (SE) 2007-11-15 WO claimed
EP-2027105-A2 NOVEL PROCESS FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS AstraZeneca AB (SE) 2009-02-25 EP disclosed
US-20080064884-A1 Novel Process 1 ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064884-A1 Novel Process 1 ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064884-A1 Novel Process 1 ASTRAZENECA AB (SE) 2008-03-13 US disclosed
WO-2007129960-A2 NOVEL PROCESSES FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
WO-2007129960-A2 NOVEL PROCESSES FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS ASTRAZENECA AB (SE) 2007-11-15 WO 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 (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-20080064884-A1 Novel Process 1 TPX2, UGT1A1, BRIX1 MAPT 4422/4885LMNA 2842/4885HTT 3584/4885

“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.