SCHEMBL3732606

SCHEMBL3732606

COC(=O)Cc1ccc(N)c(C(=O)N(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
GAA P10253 2/20 0.57
GFER P55789 1/20 0.57
HPGD P15428 3/20 0.51
MAPT P10636 2/20 0.51
TSHR P16473 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SLC7A5 Q01650 1/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
HSP90AB1 P08238 1/20 0.42
CDC25B P30305 1/20 0.41
CASP6 P55212 1/20 0.41
RCE1 Q9Y256 1/20 0.41
MAP4K1 Q92918 8/20 0.41
CYP3A4 P08684 2/20 0.41
ABL1 P00519 1/20 0.41
CHEK1 O14757 2/20 0.40

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
SCHEMBL3732157 0.86 ALDH1A1 (0.49) ALDH1A1GAAGFERHPGDMAPT
SCHEMBL14778451 0.83 ALDH1A1 (0.49) ALDH1A1GAAHPGDMAPTTSHR
SCHEMBL7649762 0.83 ALDH1A1 (0.73) ALDH1A1GAAGFERHPGDMAPT
SCHEMBL22615098 0.82 ALDH1A1 (0.53) ALDH1A1GAAGFERHPGDMAPT
SCHEMBL8151837 0.80 ALDH1A1 (0.66) ALDH1A1GAAGFERHPGDMAPT
SCHEMBL7237331 0.79 ALDH1A1 (0.75) ALDH1A1GAAGFERHPGDMAPT
SCHEMBL30565426 0.79 ALDH1A1 (0.75) ALDH1A1GAAGFERHPGDMAPT
SCHEMBL3731070 0.79 GAA (0.60) ALDH1A1GAAGFERHPGDMAPT
SCHEMBL15184525 0.78 ALDH1A1 (0.64) ALDH1A1GAAGFERHPGDMAPT
SCHEMBL29518485 0.78 ALDH1A1 (0.64) ALDH1A1GAAGFERHPGDMAPT

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-20130072519-A1 2-PHENYL BENZOYLAMIDES CONN EDWARD LEE (US) 2013-03-21 US disclosed
WO-2011145022-A1 2-PHENYL BENZOYLAMIDES PFIZER INC. (US) 2011-11-24 WO disclosed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US disclosed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US disclosed
US-20050075367-A1 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-04-07 US disclosed
EP-1479666-A1 ESTER COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-11-24 EP 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-20050075367-A1 Ester compound and medicinal use thereof LIPC, CES1, MTTP ALDH1A1 564/4885GAA 2055/4885GFER 1854/4885
US-20130072519-A1 2-PHENYL BENZOYLAMIDES APOB, MTTP, HADHB ALDH1A1 885/4885GAA 167/4885GFER 2064/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP ALDH1A1 603/4885GAA 1962/4885GFER 2115/4885

“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.