SCHEMBL4400005

SCHEMBL4400005

CO[C@@H](CCN)C(=O)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 3/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
RECQL P46063 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.38
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.37
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL4394457 0.87 CYP3A4 (0.45) CYP3A4CYP2C19GAATSHRALDH1A1
SCHEMBL10304887 0.85 L3MBTL1 (0.44) CYP3A4CYP2C19GAATSHRALDH1A1
SCHEMBL2866077 0.83 POLB (0.49) CYP3A4CYP2C19GAATSHRALDH1A1
SCHEMBL17901791 0.81 CYP3A4 (0.50) CYP3A4CYP2C19GAATSHRALDH1A1
SCHEMBL4400001 0.81 CYP3A4 (0.43) CYP3A4CYP2C19GAATSHRALDH1A1
SCHEMBL4394013 0.77 CYP3A4 (0.50) CYP3A4CYP2C19GAATSHRALDH1A1
SCHEMBL3056306 0.76 CYP3A4 (0.41) CYP3A4CYP2C19GAATSHRALDH1A1
SCHEMBL6824021 0.76 DPP7 (0.56) CYP3A4CYP2C19TSHRL3MBTL1KDM4E
SCHEMBL16964809 0.76 CYP3A4 (0.41) CYP3A4CYP2C19GAATSHRALDH1A1
SCHEMBL15123871 0.73 CYP3A4 (0.45) CYP3A4CYP2C19GAATSHRALDH1A1

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 7 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-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
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 3568/4885GAA 2011/4885

“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.