SCHEMBL12894367

SCHEMBL12894367

CC(C)(C)c1ccccc1COc1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.43
SLC6A4 P31645 2/20 0.43
KCNH2 Q12809 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 7/20 0.42
MAOA P21397 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
SCN9A Q15858 2/20 0.40
AR P10275 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NR4A2 P43354 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SCN5A Q14524 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL12894385 0.88 MAPT (0.46) HTR2AMAPTTDP1L3MBTL1MAOB
SCHEMBL12894344 0.82 HTR6 (0.47) SLC6A4KCNH2SLC6A2SLC6A3POLB
SCHEMBL12894341 0.80 POLB (0.45) HTR2ASLC6A4POLBMAPTTDP1
SCHEMBL13793731 0.80 MRGPRX4 (0.48) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL12894330 0.79 MAOB (0.49) SLC6A4KCNH2SLC6A2SLC6A3MAOB
SCHEMBL12894345 0.78 PARP10 (0.48) POLBMAPTL3MBTL1MAOBMAOA
SCHEMBL12894377 0.77 HPGD (0.46) POLBMAPTMAOBMAOANPC1
SCHEMBL12894376 0.77 MAPT (0.46) POLBMAPTL3MBTL1MRGPRX4KDM4E
SCHEMBL12894359 0.76 FABP4 (0.41) MAPTL3MBTL1MAOBMAOANR4A2
SCHEMBL12894340 0.76 MAOB (0.44) TDP1L3MBTL1MAOBMAOAKDM4E

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
US-7879889-B2 administering (2S)-2-{[(2S)-2-hydroxy-3,3-dimethylbutanoyl]amino}-N-{5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl}pentanamide, for the treatment of Alzheimer's disease SANOFI-AVENTIS (FR) 2011-02-01 US disclosed
US-7879889-B2 administering (2S)-2-{[(2S)-2-hydroxy-3,3-dimethylbutanoyl]amino}-N-{5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl}pentanamide, for the treatment of Alzheimer's disease SANOFI-AVENTIS (FR) 2011-02-01 US disclosed
US-20090253753-A1 Therapeutic Use of Acylaminothiazole Derivatives SANOFI-AVENTIS (FR) 2009-10-08 US disclosed
US-20090253753-A1 Therapeutic Use of Acylaminothiazole Derivatives SANOFI-AVENTIS (FR) 2009-10-08 US disclosed
US-7563903-B2 Acylaminothiazole derivatives, their preparation and their therapeutic use SANOFI-AVENTIS (FR) 2009-07-21 US 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-20090253753-A1 Therapeutic Use of Acylaminothiazole Derivatives ACAT1, GLS2, GLS HTR2A 1527/4885SLC6A4 1222/4885KCNH2 1221/4885

“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.