SCHEMBL2990233

SCHEMBL2990233

CC(C)(C)OC(=O)Cc1ccc(Oc2ccc(C(=O)O)cc2)c(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.49
LPAR5 Q9H1C0 1/20 0.49
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAPK14 Q16539 1/20 0.42
XDH P47989 3/20 0.41
PLA2G7 Q13093 2/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
SRD5A2 P31213 1/20 0.39
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38
NR4A2 P43354 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
AR P10275 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38

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
SCHEMBL2984362 0.89 MAPK14 (0.40) LPAR1LPAR5ALDH1A1HPGDMAPK14
SCHEMBL2985884 0.84 PTGDR2 (0.53) MAPK14PTGDR2
SCHEMBL2986695 0.81 PTGDR2 (0.54) ALDH1A1PTGDR2
SCHEMBL2986645 0.81 PLA2G7 (0.48) PLA2G7PTGDR2
SCHEMBL2991998 0.79 TRPV1 (0.48) MAPK14PTGDR2AR
SCHEMBL4745549 0.76 ALDH1A1 (0.50) ALDH1A1MTNR1AMTNR1BSRD5A2NR4A2
SCHEMBL5132543 0.76 SLC6A4 (0.40) LPAR1LPAR5MTNR1AMTNR1B
SCHEMBL2979319 0.76 KMT2A (0.48) LPAR1LPAR5MTNR1AMTNR1BSRD5A2
SCHEMBL5132540 0.75 PTGER4 (0.39) LPAR1LPAR5MTNR1AMTNR1BSRD5A2
SCHEMBL13172117 0.74 TRPA1 (0.48) ALDH1A1MTNR1AMTNR1B

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 8 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
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 LPAR1 138/4885LPAR5 268/4885ALDH1A1 610/4885
US-20120202854-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES CD22, HRH2, CD74 LPAR1 138/4885LPAR5 268/4885ALDH1A1 610/4885

“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.