SCHEMBL2986505

SCHEMBL2986505

CN(C)Cc1cc(CC(=O)OC(C)(C)C)ccc1Oc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.51
PPARA Q07869 3/20 0.51
ALDH1A1 P00352 1/20 0.51
FABP2 P12104 1/20 0.51
PPARG P37231 1/20 0.51
PPARD Q03181 1/20 0.51
GAA P10253 2/20 0.48
SLC6A4 P31645 2/20 0.46
HTR2A P28223 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
PTGDR2 Q9Y5Y4 5/20 0.44
SLC6A2 P23975 1/20 0.43
MCHR1 Q99705 3/20 0.42

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
SCHEMBL5126360 0.91 PPARA (0.49) HTTSMN1; SMN2PPARAALDH1A1FABP2
SCHEMBL2987871 0.90 PPARA (0.52) HTTSMN1; SMN2PPARAALDH1A1FABP2
SCHEMBL2981095 0.88 HTT (0.63) HTTSMN1; SMN2PPARAALDH1A1FABP2
SCHEMBL5126359 0.86 PPARA (0.47) HTTSMN1; SMN2PPARAALDH1A1FABP2
SCHEMBL2982220 0.85 PPARA (0.62) SMN1; SMN2PPARAALDH1A1FABP2PPARG
SCHEMBL2986695 0.84 PTGDR2 (0.54) SMN1; SMN2PPARAALDH1A1FABP2PPARG
SCHEMBL2983975 0.83 MAPT (0.55) HTTSMN1; SMN2PPARAALDH1A1FABP2
SCHEMBL2989932 0.82 NPC1 (0.53) SMN1; SMN2PPARAALDH1A1FABP2PPARG
SCHEMBL2985684 0.81 GAA (0.53) HTTSMN1; SMN2PPARAALDH1A1FABP2
SCHEMBL2982849 0.80 GAA (0.55) HTTSMN1; SMN2PPARAALDH1A1FABP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492437-B2 4-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2013-07-23 US disclosed
EP-2057115-B9 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-12-26 EP disclosed
EP-2057115-B1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-10-03 EP disclosed
US-20120202854-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-08-09 US disclosed
US-8183289-B2 4-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2012-05-22 US disclosed
US-20100173955-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-08 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 (2 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-20100173955-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES CD22, HRH2, CD74 HTT 3858/4885SMN1; SMN2 3361/4885PPARA 874/4885
US-20120202854-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES CD22, HRH2, CD74 HTT 3858/4885SMN1; SMN2 3361/4885PPARA 874/4885

“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.