SCHEMBL5089103

SCHEMBL5089103

COc1cccc(C(C(N)=O)c2ccc(C(C)=O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
PARP1 P09874 1/20 0.49
TRPM8 Q7Z2W7 2/20 0.47
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AOC3 Q16853 1/20 0.43
CHEK1 O14757 1/20 0.42
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
MAP4K4 O95819 1/20 0.42
CHEK2 O96017 1/20 0.42

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
SCHEMBL30493635 0.90 PARP1 (0.54) L3MBTL1PARP1TRPM8CES2CES1
SCHEMBL7813826 0.84 L3MBTL1 (0.52) L3MBTL1PARP1TRPM8ALDH1A1TDP1
SCHEMBL12564464 0.80 NPC1 (0.49) L3MBTL1PARP1AKR1C3AKR1C2CES2
SCHEMBL5515813 0.80 L3MBTL1 (0.50) L3MBTL1PARP1TRPM8CES2CES1
SCHEMBL31362087 0.77 MEN1 (0.45) L3MBTL1PARP1ALDH1A1RAB9A
SCHEMBL22917042 0.76 MTNR1A (0.56) L3MBTL1CES2CES1NPC1ALDH1A1
SCHEMBL4493891 0.76 ACP3 (0.57) L3MBTL1PARP1CES2CES1NPC1
SCHEMBL4507705 0.75 CA1 (0.55) PARP1CES2CES1RAB9AAOC3
SCHEMBL28209856 0.74 PARP1 (0.59) L3MBTL1PARP1TRPM8CES2CES1
SCHEMBL25226434 0.74 L3MBTL1 (0.65) L3MBTL1PARP1TRPM8AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US disclosed
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 US disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 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 (3 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB L3MBTL1 2745/4885PARP1 59/4885TRPM8 3822/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB L3MBTL1 2651/4885PARP1 51/4885TRPM8 3853/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB L3MBTL1 2651/4885PARP1 51/4885TRPM8 3853/4885

“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.