SCHEMBL5115439

SCHEMBL5115439

O=C1c2ccccc2C(=O)N1Cc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.55
ALDH1A1 P00352 2/20 0.53
ALOX15 P16050 2/20 0.53
HSD17B10 Q99714 2/20 0.53
APAF1 O14727 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
BCHE P06276 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.53
ALOX12 P18054 1/20 0.53
ACHE P22303 1/20 0.53
CES1 P23141 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL5112878 0.88 CASP3 (0.51) CASP3ALDH1A1ALOX15HSD17B10APAF1
SCHEMBL5120964 0.88 CASP3 (0.51) CASP3ALDH1A1ALOX15HSD17B10MEN1
SCHEMBL2570381 0.85 CASP3 (0.63) CASP3ALDH1A1APAF1MAPTMEN1
SCHEMBL18668985 0.85 ALDH1A1 (0.70) CASP3ALDH1A1ALOX15HSD17B10APAF1
SCHEMBL877431 0.84 CASP3 (0.48) CASP3ALDH1A1ALOX15HSD17B10MEN1
SCHEMBL5118846 0.84 CASP3 (0.56) CASP3ALDH1A1ALOX15HSD17B10BCHE
SCHEMBL5114960 0.82 CASP3 (0.54) CASP3CA12CA9CA1CA2
SCHEMBL5111610 0.80 CASP3 (0.58) CASP3CYP1A2CA12CA9CA1
SCHEMBL20425210 0.79 MEN1 (0.58) CASP3ALDH1A1HSD17B10TDP1MEN1
SCHEMBL261089 0.79 KMT2A (0.61) CASP3ALDH1A1HSD17B10TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361783-B2 (2S)-2-ethylphenylpropionic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-04-22 US disclosed
EP-1508566-B1 (2S)-2-ETHYLPHENYLPROPIONIC ACID DERIVATIVE KYORIN SEIYAKU KK (JP) 2007-07-18 EP disclosed
US-20060084702-A1 (2S)-2-ethylphenylpropionic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-04-20 US disclosed
EP-1508566-A1 (2S)-2-ETHYLPHENYLPROPIONIC ACID DERIVATIVE KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-02-23 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 (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-20060084702-A1 (2S)-2-ethylphenylpropionic acid derivative PPARA, PPARG, PPARD CASP3 2013/4885ALDH1A1 838/4885ALOX15 1932/4885

“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.