SCHEMBL5114960

SCHEMBL5114960

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.54
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CHRM5 P08912 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44

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 0.89 CASP3 (0.51) CASP3CA12CA1CA2CA9
SCHEMBL5125767 0.89 CASP3 (0.54) CASP3CA12CA1CA2CA9
SCHEMBL5111610 0.84 CASP3 (0.58) CASP3CA12CA1CA2CA9
SCHEMBL18669216 0.84 CASP3 (0.59) CASP3CA12CA1CA2CA9
SCHEMBL2570381 0.84 CASP3 (0.63) CASP3CA12CA1CA2CA9
SCHEMBL5118846 0.83 CASP3 (0.56) CASP3CA12CA1CA2CA9
SCHEMBL5118833 0.83 CASP3 (0.57) CASP3CA12CA1CA2CA9
SCHEMBL5126346 0.82 CASP3 (0.55) CASP3CA12CA1CA2CA9
SCHEMBL5115439 0.82 CASP3 (0.55) CASP3CA12CA1CA2CA9
SCHEMBL5119321 0.80 CASP3 (0.57) CASP3CA12CA1CA2CA9

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 7 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
US-7361783-B2 (2S)-2-ethylphenylpropionic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-04-22 US disclosed
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
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 2013/4885CA12 4800/4885CA1 4654/4885

“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.