SCHEMBL5118833

SCHEMBL5118833

O=C1c2ccccc2C(=O)N1Cc1ccc(Oc2cc(F)ccc2F)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.57
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
DAO P14920 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
EGFR P00533 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 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
SCHEMBL5119321 0.90 CASP3 (0.57) CASP3ADRA1DADRA1AADRA1BDAO
SCHEMBL14920088 0.87 CASP3 (0.49) CASP3CA12CA1CA2CA9
SCHEMBL5126297 0.83 CASP3 (0.55) CASP3ADRA1DADRA1AADRA1BDAO
SCHEMBL5114960 0.83 CASP3 (0.54) CASP3ADRA1DADRA1AADRA1BCA12
SCHEMBL5111610 0.81 CASP3 (0.58) CASP3ADRA1DADRA1AADRA1BCYP1A2
SCHEMBL5125767 0.80 CASP3 (0.54) CASP3ADRA1DADRA1AADRA1BCA12
SCHEMBL2644044 0.79 CASP3 (0.87) CASP3ADRA1DADRA1AADRA1BCYP1A2
SCHEMBL5126346 0.79 CASP3 (0.55) CASP3ADRA1DADRA1AADRA1BCA12
SCHEMBL5112878 0.78 CASP3 (0.51) CASP3CYP1A2CYP2C19CA12CA1
SCHEMBL2570381 0.77 CASP3 (0.63) CASP3ADRA1DADRA1AADRA1BRAB9A

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 2013/4885ADRA1D 169/4885ADRA1A 88/4885

“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.