SCHEMBL959115

SCHEMBL959115

C=CCCc1cc(=O)[nH]c(-c2ccccc2C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PARP1 P09874 1/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSK P43235 1/20 0.37
PTGES O14684 3/20 0.36
DCTPP1 Q9H773 1/20 0.36
PDE10A Q9Y233 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
C1R P00736 1/20 0.36
NOTUM Q6P988 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL785477 0.75 KDM4E (0.64) POLBNPSR1HDAC3HDAC7HDAC10
SCHEMBL801944 0.75 GSK3B (0.56) POLBNPSR1HDAC3HDAC7HDAC10
SCHEMBL801872 0.74 PTGES (0.47) POLBNPSR1HDAC3HDAC7HDAC10
SCHEMBL958671 0.73 CTSK (0.41) HSD17B10CTSKKMT2A
SCHEMBL959520 0.73 PLAT (0.46) POLBNPSR1HDAC3HDAC7HDAC10
SCHEMBL802491 0.73 PTGES (0.44) POLBNPSR1HDAC3HDAC7HDAC10
SCHEMBL957555 0.72 POLB (0.55) POLBNPSR1HDAC3HDAC7HDAC10
SCHEMBL801874 0.72 TGFBR1 (0.45) POLBNPSR1HDAC3HDAC7HDAC10
SCHEMBL801881 0.72 GSK3B (0.63) POLBNPSR1HDAC3HDAC7HDAC10
SCHEMBL786304 0.70 PTGES (0.44) POLBNPSR1HDAC3HDAC7HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872129-B2 Compositions useful as inhibitors of GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-20090118278-A1 COMPOSITIONS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-07 US disclosed
US-7491730-B2 Compositions useful as inhibitors of GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-17 US disclosed
EP-1739087-A1 Pyrazole compositions useful as inhibitors of gsk-3 Vertex Pharmaceuticals Incorporated (US) 2007-01-03 EP disclosed
EP-1532145-B1 PYRAZOLE COMPOSITIONS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMA (US) 2006-09-13 EP disclosed
EP-1532145-A1 PYRAZOLE COMPOSITIONS USEFUL AS INHIBITORS OF GSK-3 Vertex Pharmaceuticals Incorporated (US) 2005-05-25 EP disclosed
US-20040039007-A1 Compositions useful as inhibitors of GSK-3 VERTEX PHARMACEUTICALS INCORPORATED 2004-02-26 US disclosed
WO-2004013140-A1 PYRAZOLE COMPOSITIONS USEFUL AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-02-12 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 (2 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-20090118278-A1 COMPOSITIONS USEFUL AS INHIBITORS OF GSK-3 GSK3B, GSK3A, GSKIP POLB 2738/4885NPSR1 4729/4885HDAC3 500/4885
US-20040039007-A1 Compositions useful as inhibitors of GSK-3 GSK3A, GSK3B, GSKIP POLB 2660/4885NPSR1 4687/4885HDAC3 559/4885

“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.