SCHEMBL3132322

SCHEMBL3132322

O=C(O)c1cc(N(Cc2cccnc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1OC[C@@H](O)CO

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.40
PDE4B Q07343 5/20 0.36
PDE4A P27815 4/20 0.36
PDE4C Q08493 4/20 0.36
PDE4D Q08499 4/20 0.36
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NR3C2 P08235 1/20 0.34
PDK1 Q15118 3/20 0.34
LRRK2 Q5S007 3/20 0.33
SYK P43405 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL3132313 1.00 DHODH (0.40) DHODHPDE4BPDE4APDE4CPDE4D
SCHEMBL3203614 0.87 ALDH1A1 (0.42) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL3193748 0.85 GRM2 (0.43) PDE4B
SCHEMBL7945990 0.85 DHODH (0.44) DHODHPDE4BPDE4APDE4CPDE4D
SCHEMBL4190983 0.84 DHODH (0.43) DHODHPDE4BPDE4APDE4CPDE4D
SCHEMBL3131461 0.81 PDE4A (0.47) DHODHPDE4BPDE4APDE4CPDE4D
SCHEMBL1159028 0.80 GRM2 (0.44) DHODHPDE4BPDE4APDE4CPDE4D
SCHEMBL3128750 0.79 PDE4B (0.43) DHODHPDE4BPDE4APDE4CPDE4D
SCHEMBL1157700 0.79 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DNR3C2
SCHEMBL3126203 0.79 NAPRT (0.46) DHODHPDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US claimed
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO claimed
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 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 (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-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE3B DHODH 227/4885PDE4B 2/4885PDE4A 1/4885

“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.