SCHEMBL4394010

SCHEMBL4394010

CCOC(C(N)=O)C(=O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 1/20 0.49
TSHR P16473 3/20 0.49
ALDH1A1 P00352 3/20 0.46
RECQL P46063 1/20 0.45
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
HTT P42858 2/20 0.41
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
FKBP1A P62942 1/20 0.39

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
SCHEMBL4394453 0.81 CYP3A4 (0.43) CYP3A4CYP2C19GAATSHRALDH1A1
SCHEMBL20311441 0.78 CYP3A4 (0.58) CYP3A4CYP2C19GAATSHRALDH1A1
SCHEMBL4394013 0.77 CYP3A4 (0.50) CYP3A4CYP2C19GAATSHRALDH1A1
SCHEMBL13485048 0.72 ALOX15 (0.43) GAAALDH1A1LMNAKMT2A
SCHEMBL3736508 0.72 MMP1 (0.44) CYP3A4CYP2C19GAAALDH1A1LMNA
SCHEMBL3986818 0.72 SMN1; SMN2 (0.47) CYP3A4CYP2C19GAATSHRALDH1A1
SCHEMBL8334408 0.71 CYP3A4 (0.50) CYP3A4CYP2C19GAATSHRALDH1A1
SCHEMBL6484035 0.70 CYP3A4 (0.49) CYP3A4CYP2C19GAATSHRALDH1A1
SCHEMBL15124202 0.70 CYP3A4 (0.49) CYP3A4CYP2C19GAATSHRALDH1A1
SCHEMBL10076132 0.70 CYP3A4 (0.49) 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 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 3568/4885GAA 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.