SCHEMBL3216620

SCHEMBL3216620

CCCCOc1cc(N(Cc2cncs2)c2cccc(C(=O)OC(C)(C)C)c2)ccc1OC(F)F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.34
RXRA P19793 3/20 0.34
PDE4D Q08499 8/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.32
PDE4B Q07343 7/20 0.32
CTSL P07711 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
FPR2 P25090 1/20 0.31
SLC7A5 Q01650 1/20 0.31

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
SCHEMBL3122772 0.93 HDAC6 (0.39) HDAC6RXRAPDE4DTRPM8PDE4B
SCHEMBL3201201 0.93 HRH4 (0.36) HDAC6PDE4DLMNATRPM8CTSL
SCHEMBL3203001 0.90 POLB (0.35) HDAC6PDE4DPDE4BCTSLPDE4A
SCHEMBL3129699 0.90 RXRA (0.42) RXRAPDE4DLMNATP53PDE4B
SCHEMBL3122650 0.89 SLC7A5 (0.32) HDAC6RXRAPDE4DLMNAPDE4B
SCHEMBL3123577 0.88 CTSL (0.35) HDAC6PDE4DLMNAPDE4BCTSL
SCHEMBL3120772 0.87 GRM2 (0.38) RXRAPDE4DLMNAPDE4BPDE4A
SCHEMBL3201568 0.87 GRM2 (0.40) PDE4DLMNAPDE4BPDE4APDE4C
SCHEMBL3125802 0.86 RAB9A (0.39) HDAC6RXRAPDE4DLMNATRPM8
SCHEMBL3133400 0.85 PDE4D (0.41) PDE4DPDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HDAC6 329/4885RXRA 2856/4885PDE4D 9/4885

“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.