SCHEMBL4222296

SCHEMBL4222296

CC(C)(C)CC(=O)Nc1ccc(-c2ccc(C(=O)CC(CCc3ccccc3)C(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
NPC1 O15118 2/20 0.46
ECE1 P42892 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
MMP2 P08253 4/20 0.42
MMP3 P08254 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 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
SCHEMBL4222929 0.85 CYP2C9 (0.49) GAAMAPTMEN1KMT2ADPP4
SCHEMBL13744635 0.84 POLB (0.56) RAB9AGAAMAPTNPC1MEN1
SCHEMBL5068839 0.84 POLB (0.56) RAB9AGAAMAPTNPC1MEN1
SCHEMBL4223008 0.84 POLB (0.56) RAB9AGAAMAPTNPC1MEN1
SCHEMBL13752658 0.81 KMT2A (0.54) RAB9AHPGDMAPTNPC1MEN1
SCHEMBL13752772 0.81 ROCK2 (0.55) RAB9AMAPTNPC1HDAC1HDAC2
SCHEMBL4221463 0.79 KMT2A (0.47) RAB9AGAAMAPTNPC1MEN1
SCHEMBL13752602 0.79 MAPT (0.49) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL13752831 0.78 MMP3 (0.45) RAB9AGAAMAPTNPC1MEN1
SCHEMBL12313908 0.77 TSHR (0.51) RAB9ANPC1MMP2MMP3DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874317-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2008-01-09 EP claimed
WO-2006113919-A2 ARYL ALKYL ACID DERIVATIVES FOR AND USE THEREOF BAYER PHARMACEUTICALS CORPORATION (US) 2006-10-26 WO claimed
US-20090215780-A1 Preparation and Use of Aryl Alkyl Acid Derivatives for the Treatment of Obesity BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-27 US disclosed
EP-1874317-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2008-01-09 EP disclosed
WO-2006113919-A2 ARYL ALKYL ACID DERIVATIVES FOR AND USE THEREOF BAYER PHARMACEUTICALS CORPORATION (US) 2006-10-26 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-20090215780-A1 Preparation and Use of Aryl Alkyl Acid Derivatives for the Treatment of Obesity FABP4, GPR119, LIPC RAB9A 2066/4885HPGD 1286/4885GAA 307/4885

“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.