SCHEMBL3129127

SCHEMBL3129127

COc1cc(N(Cc2cncs2)c2ccc(C(=O)OC(C)(C)C)cc2)ccc1OC(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
GAA P10253 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 4/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE4B Q07343 2/20 0.33
PDE4D Q08499 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL3215114 0.96 HDAC6 (0.36) POLBGAAHDAC6KDM4EHTT
SCHEMBL3126060 0.95 HDAC6 (0.37) POLBGAAHDAC6RAB9APDE4B
SCHEMBL3203001 0.92 POLB (0.35) POLBGAAHDAC6KDM4EHTT
SCHEMBL3202717 0.92 RXRA (0.36) HDAC6PDE4BPDE4DPDE4APDE4C
SCHEMBL3205143 0.92 ALDH1A1 (0.38) POLBGAAHDAC6KDM4ERAB9A
SCHEMBL3125802 0.91 RAB9A (0.39) HDAC6KDM4EHTTRAB9AMAPK1
SCHEMBL3122772 0.89 HDAC6 (0.39) HDAC6RAB9APDE4BPDE4DPDE4A
SCHEMBL3123577 0.89 CTSL (0.35) POLBGAAHDAC6KDM4ETSHR
SCHEMBL3199311 0.89 RXRA (0.37) POLBHDAC6KDM4EMAPK1PDE4B
SCHEMBL3118055 0.88 PDE4D (0.44) HDAC6PDE4BPDE4DPDE4APDE4C

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 4 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 disclosed
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 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-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE3B POLB 1798/4885GAA 736/4885HDAC6 329/4885

“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.