SCHEMBL253260

SCHEMBL253260

CCOC(=O)C(C(=O)OCC)=C(Nc1ccnn1CC)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
PIK3CA P42336 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK14 Q16539 3/20 0.36
PTGS2 P35354 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HTT P42858 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL1561629 0.81 CTSK (0.40) CTSKRAB9ANPC1PIK3CAL3MBTL1
SCHEMBL222210 0.78 KMT2A (0.42) CTSKRAB9ANPC1PIK3CAL3MBTL1
SCHEMBL3766193 0.75 RAB9A (0.48) CTSKRAB9ANPC1PIK3CAL3MBTL1
SCHEMBL13170046 0.72 MEN1 (0.46) CTSKRAB9ANPC1PIK3CAL3MBTL1
SCHEMBL583550 0.71 DHODH (0.57) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13850731 0.71 MEN1 (0.43) CTSKRAB9ANPC1PIK3CAL3MBTL1
SCHEMBL6360441 0.70 MEN1 (0.44) CTSKRAB9ANPC1PIK3CAL3MBTL1
SCHEMBL11373303 0.69 MAPT (0.46) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL11375069 0.69 KMT2A (0.52) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL11371586 0.69 LMNA (0.50) RAB9ANPC1L3MBTL1MAPTMEN1

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-20120004201-A1 PHOSPHODIESTARASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-01-05 US disclosed
EP-2346867-A1 PHOSPHODIESTARASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2011-07-27 EP disclosed
WO-2010046791-A1 PHOSPHODIESTARASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-04-29 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-20120004201-A1 PHOSPHODIESTARASE INHIBITORS PDE4A, PDE7A, PDE4B CTSK 378/4885RAB9A 320/4885NPC1 3969/4885

“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.