SCHEMBL4199641

SCHEMBL4199641

COc1ccc(NC(=O)OC(C)(C)C)cc1OCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
ITGB3 P05106 1/20 0.49
ITGB1 P05556 1/20 0.49
ITGAV P06756 1/20 0.49
ITGA2B P08514 1/20 0.49
ITGB5 P18084 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 1/20 0.49
IMPDH2 P12268 1/20 0.48
IMPDH1 P20839 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
FFAR1 O14842 1/20 0.45
FAAH O00519 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL4041975 0.87 GAA (0.60) ALDH1A1GAASMN1; SMN2IMPDH2IMPDH1
SCHEMBL10809983 0.86 ALDH1A1 (0.72) ALDH1A1GAASMN1; SMN2IMPDH2IMPDH1
SCHEMBL8325689 0.86 CA12 (0.48) ALDH1A1GAAPOLBCYP2C19FFAR1
SCHEMBL10152859 0.84 ALDH1A1 (0.57) ALDH1A1GAASMN1; SMN2POLBCYP2C9
SCHEMBL30086938 0.82 ALDH1A1 (0.55) ALDH1A1GAASMN1; SMN2IMPDH2IMPDH1
SCHEMBL4851624 0.81 ALDH1A1 (0.55) ALDH1A1GAASMN1; SMN2IMPDH2IMPDH1
SCHEMBL7447972 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2POLBMAPTMEN1
SCHEMBL22502083 0.81 C5 (0.61) ALDH1A1GAASMN1; SMN2IMPDH2IMPDH1
SCHEMBL3040750 0.80 GAA (0.52) ALDH1A1GAASMN1; SMN2IMPDH2IMPDH1
SCHEMBL13513552 0.80 GAA (0.52) ALDH1A1GAASMN1; SMN2IMPDH2IMPDH1

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-7488738-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2009-02-10 US disclosed
US-6998401-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof SUNTORY LIMITED (JP) 2006-02-14 US disclosed
US-20050245574-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-11-03 US disclosed
EP-1045693-B1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-06-30 EP disclosed
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2004-04-01 US disclosed
US-6559146-B1 Neuroprotective effects by inducing calbindin D28Kd, one of Ca2+-binding proteins SUNTORY LIMITED (JP) 2003-05-06 US disclosed
EP-1045693-A1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS SUNTORY LIMITED (JP) 2000-10-25 EP disclosed
WO-2000023076-A1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS SUNTORY LIMITED (JP) 2000-04-27 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-20050245574-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof CAMK2A, CAMK2B, SLC1A2 ALDH1A1 1522/4885GAA 2706/4885ITGB3 3200/4885
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof FABP7, SLC1A2, CAMK2A ALDH1A1 1079/4885GAA 2169/4885ITGB3 3222/4885

“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.