SCHEMBL2995034

SCHEMBL2995034

CN(C(=O)c1ccc(Oc2ccc(CC(=O)O)cc2CNS(C)(=O)=O)cc1)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.41
SLC6A2 P23975 4/20 0.41
SLC6A3 Q01959 4/20 0.41
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
PTGDR2 Q9Y5Y4 7/20 0.39
PTGDR Q13258 3/20 0.39
HRH3 Q9Y5N1 5/20 0.39
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
HTR2A P28223 2/20 0.36
KCNH2 Q12809 2/20 0.36
CPT1A P50416 1/20 0.35
CPT1B Q92523 1/20 0.35

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
SCHEMBL2995031 0.82 PTGDR2 (0.48) SLC6A4SLC6A2SLC6A3PTGDR2PTGDR
SCHEMBL2979645 0.81 OPRM1 (0.42) SLC6A4OPRM1OPRL1PTGDR2PTGDR
SCHEMBL2981219 0.79 PPARA (0.52) PTGDR2PTGDRPPARGPPARDPPARA
SCHEMBL2989967 0.78 PPARA (0.47) SLC6A4SLC6A2SLC6A3PTGDR2PTGDR
SCHEMBL2994879 0.74 KDM4E (0.58) SLC6A4PTGDR2PTGDRHTR2AKCNH2
SCHEMBL2980029 0.74 KDM4E (0.50) SLC6A4PTGDR2PTGDRHTR2AKCNH2
SCHEMBL2987825 0.73 NAMPT (0.47) SLC6A4SLC6A2SLC6A3PTGDR2PPARD
SCHEMBL2993189 0.73 KDM4E (0.61) PTGDR2PPARGPPARDPPARA
SCHEMBL2983991 0.73 PTGDR2 (0.50) SLC6A4SLC6A2SLC6A3PTGDR2PTGDR
SCHEMBL2975309 0.72 PTGDR2 (0.51) SLC6A4PTGDR2PTGDRHTR2AKCNH2

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 10 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 claimed
US-20120202854-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-08-09 US claimed
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
EP-2057115-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES Array Biopharma, Inc. (US) 2009-05-13 EP disclosed
WO-2008024746-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA, INC. (US) 2008-02-28 WO 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 SLC6A4 1000/4885SLC6A2 837/4885SLC6A3 980/4885
US-20120202854-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES CD22, HRH2, CD74 SLC6A4 1000/4885SLC6A2 837/4885SLC6A3 980/4885

“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.