SCHEMBL2987885

SCHEMBL2987885

CC(C)(C)OC(=O)NCc1cc(CC(=O)O)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.51
GAA P10253 3/20 0.47
TSHR P16473 2/20 0.47
NFKB1 P19838 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.46
RGS12 O14924 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
APEX1 P27695 1/20 0.46
THPO P40225 1/20 0.46
BLM P54132 1/20 0.46
GNAI1 P63096 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA2 P00918 2/20 0.43

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
SCHEMBL2986153 0.88 ALDH1A1 (0.51) HDAC1GAAALDH1A1EGFRKDM4A
SCHEMBL20049678 0.84 NR1H2 (0.45) HDAC1LMNAPOLBKDM4AL3MBTL1
SCHEMBL21455739 0.83 HDAC1 (0.52) HDAC1GAATSHRCA2KDM4A
SCHEMBL1244728 0.82 EPHX2 (0.56) HDAC1GAATDP1MAPTCA2
SCHEMBL4893909 0.81 HDAC1 (0.43) HDAC1CA2EGFRKDM4AL3MBTL1
SCHEMBL23735207 0.80 EGFR (0.44) HDAC1EGFRKDM4AKCNA5
SCHEMBL20869031 0.80 EGFR (0.44) HDAC1ALDH1A1HIF1ACA2EGFR
SCHEMBL30101760 0.80 EGFR (0.44) HDAC1ALDH1A1HIF1ACA2EGFR
SCHEMBL3734185 0.80 ANO1 (0.51) HDAC1GAAALDH1A1KDM4ELMNA
SCHEMBL2787151 0.80 GLS (0.58) HDAC1KDM4AGLSNAMPTCA1

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 HDAC1 2923/4885GAA 2523/4885TSHR 250/4885
US-20120202854-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES CD22, HRH2, CD74 HDAC1 2923/4885GAA 2523/4885TSHR 250/4885

“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.