SCHEMBL4394453

SCHEMBL4394453

COC(C(N)=O)C(=O)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP8 P22894 1/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BLM P54132 1/20 0.39
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL4395849 0.83 DPP7 (0.41) SMN1; SMN2ALDH1A1MMP1MMP3PKM
SCHEMBL4394010 0.81 CYP3A4 (0.50) CYP3A4CYP2C19SMN1; SMN2GAAALDH1A1
SCHEMBL10350673 0.77 SMN1; SMN2 (0.48) CYP3A4CYP2C19SMN1; SMN2GAAALDH1A1
SCHEMBL3986818 0.76 SMN1; SMN2 (0.47) CYP3A4CYP2C19SMN1; SMN2GAAALDH1A1
SCHEMBL13359381 0.76 ALDH1A1 (0.51) CYP3A4CYP2C19SMN1; SMN2GAAALDH1A1
SCHEMBL17901790 0.76 ALDH1A1 (0.51) CYP3A4CYP2C19SMN1; SMN2GAAALDH1A1
SCHEMBL4400001 0.75 CYP3A4 (0.43) CYP3A4CYP2C19SMN1; SMN2GAAALDH1A1
SCHEMBL4394457 0.74 CYP3A4 (0.45) CYP3A4CYP2C19SMN1; SMN2GAAALDH1A1
SCHEMBL3062998 0.73 MMP1 (0.45) CYP3A4CYP2C19SMN1; SMN2GAAALDH1A1
SCHEMBL3068967 0.73 MMP1 (0.45) CYP3A4CYP2C19SMN1; SMN2GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090305382-A1 ALKOXY INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-10 US disclosed
US-7629339-B2 inhibitors of protein kinases and are useful in treating cancer; 4-({5-[5-Fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl}-amino)-3-methoxy-butyric acid; anticarcinogenic agent THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-08 US disclosed
EP-1926725-A1 ALKOXY INDOLINONE BASED PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2008-06-04 EP disclosed
WO-2007038251-A1 ALKOXY INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2007-04-05 WO disclosed
US-20070072934-A1 Alkoxy indolinone based protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2007-03-29 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 (1 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-20070072934-A1 Alkoxy indolinone based protein kinase inhibitors PHKG1, MAP3K19, MAP3K20 CYP3A4 4146/4885CYP2C19 3568/4885SMN1; SMN2 3450/4885

“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.